data_27729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27729 _Entry.Title ; IL37 53-206 dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-15 _Entry.Accession_date 2018-12-15 _Entry.Last_release_date 2018-12-17 _Entry.Original_release_date 2018-12-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Asymmetrical dimer of IL37 residues 53-206 (no floppy termini)' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Elan Eisenmesser . . . . 27729 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Colorado Anschutz Medical Campus' . 27729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 27729 '15N chemical shifts' 145 27729 '1H chemical shifts' 249 27729 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-17 2018-12-15 update BMRB 'update entry citation' 27729 1 . . 2019-01-15 2018-12-15 original author 'original release' 27729 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6NCU . 27729 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27729 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30819901 _Citation.Full_citation . _Citation.Title ; Interleukin-37 monomer is the active form for reducing innate immunity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 116 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5514 _Citation.Page_last 5522 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Elan Eisenmesser E. Z. . . 27729 1 2 Adrian Gottschlich A. . . . 27729 1 3 Jasmina Redzic J. S. . . 27729 1 4 Natasia Paukovich N. . . . 27729 1 5 Jay Nix J. C. . . 27729 1 6 Tania Azam T. . . . 27729 1 7 Lingdi Zhang L. . . . 27729 1 8 Rui Zhao R. . . . 27729 1 9 Jeffrey Kieft J. S. . . 27729 1 10 Erlinda The E. . . . 27729 1 11 Xianzhong Meng X. . . . 27729 1 12 Charles Dinarello C. A. . . 27729 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cytokine 27729 1 'immune system' 27729 1 inflammation 27729 1 interleukin 27729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27729 _Assembly.ID 1 _Assembly.Name 'Il37 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19300 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Il37 chain A' 1 $IL37_dimer A . yes native no no . . . 27729 1 2 'Il37 chain B' 1 $IL37_dimer B . yes native no no . . . 27729 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6NCU . . X-ray 3.5 'crystal structure' . 27729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IL37_dimer _Entity.Sf_category entity _Entity.Sf_framecode IL37_dimer _Entity.Entry_ID 27729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IL37_dimer _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSFVGENSGVKMGSEDWEKD EPQCCLEDPAGSPLEPGPSL PTMNFVHTSPKVKNLNPKKF SIHDQDHKVLVLDSGNLIAV PDKNYIRPEIFFALASSLSS ASAEKGSPILLGVSKGEFCL YCDKDKGQSHPSLQLKKEKL MKLAAQKESARRPFIFYRAQ VGSWNMLESAAHPGWFICTS CNCNEPVGVTDKFENRKHIE FSFQPVCKAEMSPSEVSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 218 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'anti-inflammatory cytokine' 27729 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27729 1 2 . SER . 27729 1 3 . PHE . 27729 1 4 . VAL . 27729 1 5 . GLY . 27729 1 6 . GLU . 27729 1 7 . ASN . 27729 1 8 . SER . 27729 1 9 . GLY . 27729 1 10 . VAL . 27729 1 11 . LYS . 27729 1 12 . MET . 27729 1 13 . GLY . 27729 1 14 . SER . 27729 1 15 . GLU . 27729 1 16 . ASP . 27729 1 17 . TRP . 27729 1 18 . GLU . 27729 1 19 . LYS . 27729 1 20 . ASP . 27729 1 21 . GLU . 27729 1 22 . PRO . 27729 1 23 . GLN . 27729 1 24 . CYS . 27729 1 25 . CYS . 27729 1 26 . LEU . 27729 1 27 . GLU . 27729 1 28 . ASP . 27729 1 29 . PRO . 27729 1 30 . ALA . 27729 1 31 . GLY . 27729 1 32 . SER . 27729 1 33 . PRO . 27729 1 34 . LEU . 27729 1 35 . GLU . 27729 1 36 . PRO . 27729 1 37 . GLY . 27729 1 38 . PRO . 27729 1 39 . SER . 27729 1 40 . LEU . 27729 1 41 . PRO . 27729 1 42 . THR . 27729 1 43 . MET . 27729 1 44 . ASN . 27729 1 45 . PHE . 27729 1 46 . VAL . 27729 1 47 . HIS . 27729 1 48 . THR . 27729 1 49 . SER . 27729 1 50 . PRO . 27729 1 51 . LYS . 27729 1 52 . VAL . 27729 1 53 . LYS . 27729 1 54 . ASN . 27729 1 55 . LEU . 27729 1 56 . ASN . 27729 1 57 . PRO . 27729 1 58 . LYS . 27729 1 59 . LYS . 27729 1 60 . PHE . 27729 1 61 . SER . 27729 1 62 . ILE . 27729 1 63 . HIS . 27729 1 64 . ASP . 27729 1 65 . GLN . 27729 1 66 . ASP . 27729 1 67 . HIS . 27729 1 68 . LYS . 27729 1 69 . VAL . 27729 1 70 . LEU . 27729 1 71 . VAL . 27729 1 72 . LEU . 27729 1 73 . ASP . 27729 1 74 . SER . 27729 1 75 . GLY . 27729 1 76 . ASN . 27729 1 77 . LEU . 27729 1 78 . ILE . 27729 1 79 . ALA . 27729 1 80 . VAL . 27729 1 81 . PRO . 27729 1 82 . ASP . 27729 1 83 . LYS . 27729 1 84 . ASN . 27729 1 85 . TYR . 27729 1 86 . ILE . 27729 1 87 . ARG . 27729 1 88 . PRO . 27729 1 89 . GLU . 27729 1 90 . ILE . 27729 1 91 . PHE . 27729 1 92 . PHE . 27729 1 93 . ALA . 27729 1 94 . LEU . 27729 1 95 . ALA . 27729 1 96 . SER . 27729 1 97 . SER . 27729 1 98 . LEU . 27729 1 99 . SER . 27729 1 100 . SER . 27729 1 101 . ALA . 27729 1 102 . SER . 27729 1 103 . ALA . 27729 1 104 . GLU . 27729 1 105 . LYS . 27729 1 106 . GLY . 27729 1 107 . SER . 27729 1 108 . PRO . 27729 1 109 . ILE . 27729 1 110 . LEU . 27729 1 111 . LEU . 27729 1 112 . GLY . 27729 1 113 . VAL . 27729 1 114 . SER . 27729 1 115 . LYS . 27729 1 116 . GLY . 27729 1 117 . GLU . 27729 1 118 . PHE . 27729 1 119 . CYS . 27729 1 120 . LEU . 27729 1 121 . TYR . 27729 1 122 . CYS . 27729 1 123 . ASP . 27729 1 124 . LYS . 27729 1 125 . ASP . 27729 1 126 . LYS . 27729 1 127 . GLY . 27729 1 128 . GLN . 27729 1 129 . SER . 27729 1 130 . HIS . 27729 1 131 . PRO . 27729 1 132 . SER . 27729 1 133 . LEU . 27729 1 134 . GLN . 27729 1 135 . LEU . 27729 1 136 . LYS . 27729 1 137 . LYS . 27729 1 138 . GLU . 27729 1 139 . LYS . 27729 1 140 . LEU . 27729 1 141 . MET . 27729 1 142 . LYS . 27729 1 143 . LEU . 27729 1 144 . ALA . 27729 1 145 . ALA . 27729 1 146 . GLN . 27729 1 147 . LYS . 27729 1 148 . GLU . 27729 1 149 . SER . 27729 1 150 . ALA . 27729 1 151 . ARG . 27729 1 152 . ARG . 27729 1 153 . PRO . 27729 1 154 . PHE . 27729 1 155 . ILE . 27729 1 156 . PHE . 27729 1 157 . TYR . 27729 1 158 . ARG . 27729 1 159 . ALA . 27729 1 160 . GLN . 27729 1 161 . VAL . 27729 1 162 . GLY . 27729 1 163 . SER . 27729 1 164 . TRP . 27729 1 165 . ASN . 27729 1 166 . MET . 27729 1 167 . LEU . 27729 1 168 . GLU . 27729 1 169 . SER . 27729 1 170 . ALA . 27729 1 171 . ALA . 27729 1 172 . HIS . 27729 1 173 . PRO . 27729 1 174 . GLY . 27729 1 175 . TRP . 27729 1 176 . PHE . 27729 1 177 . ILE . 27729 1 178 . CYS . 27729 1 179 . THR . 27729 1 180 . SER . 27729 1 181 . CYS . 27729 1 182 . ASN . 27729 1 183 . CYS . 27729 1 184 . ASN . 27729 1 185 . GLU . 27729 1 186 . PRO . 27729 1 187 . VAL . 27729 1 188 . GLY . 27729 1 189 . VAL . 27729 1 190 . THR . 27729 1 191 . ASP . 27729 1 192 . LYS . 27729 1 193 . PHE . 27729 1 194 . GLU . 27729 1 195 . ASN . 27729 1 196 . ARG . 27729 1 197 . LYS . 27729 1 198 . HIS . 27729 1 199 . ILE . 27729 1 200 . GLU . 27729 1 201 . PHE . 27729 1 202 . SER . 27729 1 203 . PHE . 27729 1 204 . GLN . 27729 1 205 . PRO . 27729 1 206 . VAL . 27729 1 207 . CYS . 27729 1 208 . LYS . 27729 1 209 . ALA . 27729 1 210 . GLU . 27729 1 211 . MET . 27729 1 212 . SER . 27729 1 213 . PRO . 27729 1 214 . SER . 27729 1 215 . GLU . 27729 1 216 . VAL . 27729 1 217 . SER . 27729 1 218 . ASP . 27729 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27729 1 . SER 2 2 27729 1 . PHE 3 3 27729 1 . VAL 4 4 27729 1 . GLY 5 5 27729 1 . GLU 6 6 27729 1 . ASN 7 7 27729 1 . SER 8 8 27729 1 . GLY 9 9 27729 1 . VAL 10 10 27729 1 . LYS 11 11 27729 1 . MET 12 12 27729 1 . GLY 13 13 27729 1 . SER 14 14 27729 1 . GLU 15 15 27729 1 . ASP 16 16 27729 1 . TRP 17 17 27729 1 . GLU 18 18 27729 1 . LYS 19 19 27729 1 . ASP 20 20 27729 1 . GLU 21 21 27729 1 . PRO 22 22 27729 1 . GLN 23 23 27729 1 . CYS 24 24 27729 1 . CYS 25 25 27729 1 . LEU 26 26 27729 1 . GLU 27 27 27729 1 . ASP 28 28 27729 1 . PRO 29 29 27729 1 . ALA 30 30 27729 1 . GLY 31 31 27729 1 . SER 32 32 27729 1 . PRO 33 33 27729 1 . LEU 34 34 27729 1 . GLU 35 35 27729 1 . PRO 36 36 27729 1 . GLY 37 37 27729 1 . PRO 38 38 27729 1 . SER 39 39 27729 1 . LEU 40 40 27729 1 . PRO 41 41 27729 1 . THR 42 42 27729 1 . MET 43 43 27729 1 . ASN 44 44 27729 1 . PHE 45 45 27729 1 . VAL 46 46 27729 1 . HIS 47 47 27729 1 . THR 48 48 27729 1 . SER 49 49 27729 1 . PRO 50 50 27729 1 . LYS 51 51 27729 1 . VAL 52 52 27729 1 . LYS 53 53 27729 1 . ASN 54 54 27729 1 . LEU 55 55 27729 1 . ASN 56 56 27729 1 . PRO 57 57 27729 1 . LYS 58 58 27729 1 . LYS 59 59 27729 1 . PHE 60 60 27729 1 . SER 61 61 27729 1 . ILE 62 62 27729 1 . HIS 63 63 27729 1 . ASP 64 64 27729 1 . GLN 65 65 27729 1 . ASP 66 66 27729 1 . HIS 67 67 27729 1 . LYS 68 68 27729 1 . VAL 69 69 27729 1 . LEU 70 70 27729 1 . VAL 71 71 27729 1 . LEU 72 72 27729 1 . ASP 73 73 27729 1 . SER 74 74 27729 1 . GLY 75 75 27729 1 . ASN 76 76 27729 1 . LEU 77 77 27729 1 . ILE 78 78 27729 1 . ALA 79 79 27729 1 . VAL 80 80 27729 1 . PRO 81 81 27729 1 . ASP 82 82 27729 1 . LYS 83 83 27729 1 . ASN 84 84 27729 1 . TYR 85 85 27729 1 . ILE 86 86 27729 1 . ARG 87 87 27729 1 . PRO 88 88 27729 1 . GLU 89 89 27729 1 . ILE 90 90 27729 1 . PHE 91 91 27729 1 . PHE 92 92 27729 1 . ALA 93 93 27729 1 . LEU 94 94 27729 1 . ALA 95 95 27729 1 . SER 96 96 27729 1 . SER 97 97 27729 1 . LEU 98 98 27729 1 . SER 99 99 27729 1 . SER 100 100 27729 1 . ALA 101 101 27729 1 . SER 102 102 27729 1 . ALA 103 103 27729 1 . GLU 104 104 27729 1 . LYS 105 105 27729 1 . GLY 106 106 27729 1 . SER 107 107 27729 1 . PRO 108 108 27729 1 . ILE 109 109 27729 1 . LEU 110 110 27729 1 . LEU 111 111 27729 1 . GLY 112 112 27729 1 . VAL 113 113 27729 1 . SER 114 114 27729 1 . LYS 115 115 27729 1 . GLY 116 116 27729 1 . GLU 117 117 27729 1 . PHE 118 118 27729 1 . CYS 119 119 27729 1 . LEU 120 120 27729 1 . TYR 121 121 27729 1 . CYS 122 122 27729 1 . ASP 123 123 27729 1 . LYS 124 124 27729 1 . ASP 125 125 27729 1 . LYS 126 126 27729 1 . GLY 127 127 27729 1 . GLN 128 128 27729 1 . SER 129 129 27729 1 . HIS 130 130 27729 1 . PRO 131 131 27729 1 . SER 132 132 27729 1 . LEU 133 133 27729 1 . GLN 134 134 27729 1 . LEU 135 135 27729 1 . LYS 136 136 27729 1 . LYS 137 137 27729 1 . GLU 138 138 27729 1 . LYS 139 139 27729 1 . LEU 140 140 27729 1 . MET 141 141 27729 1 . LYS 142 142 27729 1 . LEU 143 143 27729 1 . ALA 144 144 27729 1 . ALA 145 145 27729 1 . GLN 146 146 27729 1 . LYS 147 147 27729 1 . GLU 148 148 27729 1 . SER 149 149 27729 1 . ALA 150 150 27729 1 . ARG 151 151 27729 1 . ARG 152 152 27729 1 . PRO 153 153 27729 1 . PHE 154 154 27729 1 . ILE 155 155 27729 1 . PHE 156 156 27729 1 . TYR 157 157 27729 1 . ARG 158 158 27729 1 . ALA 159 159 27729 1 . GLN 160 160 27729 1 . VAL 161 161 27729 1 . GLY 162 162 27729 1 . SER 163 163 27729 1 . TRP 164 164 27729 1 . ASN 165 165 27729 1 . MET 166 166 27729 1 . LEU 167 167 27729 1 . GLU 168 168 27729 1 . SER 169 169 27729 1 . ALA 170 170 27729 1 . ALA 171 171 27729 1 . HIS 172 172 27729 1 . PRO 173 173 27729 1 . GLY 174 174 27729 1 . TRP 175 175 27729 1 . PHE 176 176 27729 1 . ILE 177 177 27729 1 . CYS 178 178 27729 1 . THR 179 179 27729 1 . SER 180 180 27729 1 . CYS 181 181 27729 1 . ASN 182 182 27729 1 . CYS 183 183 27729 1 . ASN 184 184 27729 1 . GLU 185 185 27729 1 . PRO 186 186 27729 1 . VAL 187 187 27729 1 . GLY 188 188 27729 1 . VAL 189 189 27729 1 . THR 190 190 27729 1 . ASP 191 191 27729 1 . LYS 192 192 27729 1 . PHE 193 193 27729 1 . GLU 194 194 27729 1 . ASN 195 195 27729 1 . ARG 196 196 27729 1 . LYS 197 197 27729 1 . HIS 198 198 27729 1 . ILE 199 199 27729 1 . GLU 200 200 27729 1 . PHE 201 201 27729 1 . SER 202 202 27729 1 . PHE 203 203 27729 1 . GLN 204 204 27729 1 . PRO 205 205 27729 1 . VAL 206 206 27729 1 . CYS 207 207 27729 1 . LYS 208 208 27729 1 . ALA 209 209 27729 1 . GLU 210 210 27729 1 . MET 211 211 27729 1 . SER 212 212 27729 1 . PRO 213 213 27729 1 . SER 214 214 27729 1 . GLU 215 215 27729 1 . VAL 216 216 27729 1 . SER 217 217 27729 1 . ASP 218 218 27729 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27729 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IL37_dimer . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27729 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27729 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IL37_dimer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21 . . . 27729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27729 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'IL37 dimer' '[U-100% 15N]' . . 1 $IL37_dimer . . 1 . . mM . . . . 27729 1 2 Phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 27729 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27729 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27729 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27729 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'IL37 dimer' '[U-13C; U-15N; U-2H]' . . 1 $IL37_dimer . . 1 . . mM . . . . 27729 2 2 Phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 27729 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27729 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27729 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27729 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27729 1 pH 6.5 . pH 27729 1 pressure 1 . atm 27729 1 temperature 298 . K 27729 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27729 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27729 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27729 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 27729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 27729 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27729 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 900 Varian INOVA . 900 . . . 27729 1 2 600 Varian INOVA . 600 . . . 27729 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27729 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27729 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27729 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27729 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27729 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27729 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27729 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27729 1 8 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27729 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27729 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27729 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27729 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27729 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 27729 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27729 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 27729 1 2 '3D HNCACB' . . . 27729 1 3 '3D HN(CO)CA' . . . 27729 1 4 '3D HN(COCA)CB' . . . 27729 1 5 '2D 1H-15N HSQC' . . . 27729 1 6 '3D HNCO' . . . 27729 1 7 '2D 1H-13C HSQC' . . . 27729 1 8 '3D HCACO' . . . 27729 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 53 53 LYS H H 1 8.519 . . . . . . . . 53 K HN . 27729 1 2 . 1 1 53 53 LYS C C 13 176.261 . . . . . . . . 53 K C . 27729 1 3 . 1 1 53 53 LYS CA C 13 56.155 . . . . . . . . 53 K CA . 27729 1 4 . 1 1 53 53 LYS CB C 13 32.256 . . . . . . . . 53 K CB . 27729 1 5 . 1 1 53 53 LYS N N 15 123.027 . . . . . . . . 53 K N . 27729 1 6 . 1 1 54 54 ASN H H 1 8.413 . . . . . . . . 54 N HN . 27729 1 7 . 1 1 54 54 ASN C C 13 174.730 . . . . . . . . 54 N C . 27729 1 8 . 1 1 54 54 ASN CA C 13 53.108 . . . . . . . . 54 N CA . 27729 1 9 . 1 1 54 54 ASN CB C 13 38.514 . . . . . . . . 54 N CB . 27729 1 10 . 1 1 54 54 ASN N N 15 119.318 . . . . . . . . 54 N N . 27729 1 11 . 1 1 55 55 LEU H H 1 8.192 . . . . . . . . 55 L HN . 27729 1 12 . 1 1 55 55 LEU C C 13 175.944 . . . . . . . . 55 L C . 27729 1 13 . 1 1 55 55 LEU CA C 13 54.410 . . . . . . . . 55 L CA . 27729 1 14 . 1 1 55 55 LEU CB C 13 41.738 . . . . . . . . 55 L CB . 27729 1 15 . 1 1 55 55 LEU N N 15 122.557 . . . . . . . . 55 L N . 27729 1 16 . 1 1 56 56 ASN H H 1 8.290 . . . . . . . . 56 N HN . 27729 1 17 . 1 1 56 56 ASN C C 13 172.875 . . . . . . . . 56 N C . 27729 1 18 . 1 1 56 56 ASN CA C 13 50.658 . . . . . . . . 56 N CA . 27729 1 19 . 1 1 56 56 ASN CB C 13 39.095 . . . . . . . . 56 N CB . 27729 1 20 . 1 1 56 56 ASN N N 15 119.246 . . . . . . . . 56 N N . 27729 1 21 . 1 1 57 57 PRO C C 13 176.387 . . . . . . . . 57 P C . 27729 1 22 . 1 1 57 57 PRO CA C 13 62.291 . . . . . . . . 57 P CA . 27729 1 23 . 1 1 57 57 PRO CB C 13 31.676 . . . . . . . . 57 P CB . 27729 1 24 . 1 1 58 58 LYS H H 1 8.629 . . . . . . . . 58 K HN . 27729 1 25 . 1 1 58 58 LYS C C 13 175.610 . . . . . . . . 58 K C . 27729 1 26 . 1 1 58 58 LYS CA C 13 55.378 . . . . . . . . 58 K CA . 27729 1 27 . 1 1 58 58 LYS CB C 13 33.457 . . . . . . . . 58 K CB . 27729 1 28 . 1 1 58 58 LYS N N 15 122.357 . . . . . . . . 58 K N . 27729 1 29 . 1 1 59 59 LYS H H 1 8.125 . . . . . . . . 59 K HN . 27729 1 30 . 1 1 59 59 LYS HB2 H 1 1.539 . . . . . . . . 59 K HB# . 27729 1 31 . 1 1 59 59 LYS HB3 H 1 1.539 . . . . . . . . 59 K HB# . 27729 1 32 . 1 1 59 59 LYS C C 13 177.151 . . . . . . . . 59 K C . 27729 1 33 . 1 1 59 59 LYS CA C 13 54.560 . . . . . . . . 59 K CA . 27729 1 34 . 1 1 59 59 LYS CB C 13 34.275 . . . . . . . . 59 K CB . 27729 1 35 . 1 1 59 59 LYS N N 15 120.508 . . . . . . . . 59 K N . 27729 1 36 . 1 1 60 60 PHE H H 1 8.312 . . . . . . . . 60 F HN . 27729 1 37 . 1 1 60 60 PHE C C 13 173.603 . . . . . . . . 60 F C . 27729 1 38 . 1 1 60 60 PHE CA C 13 56.044 . . . . . . . . 60 F CA . 27729 1 39 . 1 1 60 60 PHE CB C 13 39.970 . . . . . . . . 60 F CB . 27729 1 40 . 1 1 60 60 PHE N N 15 118.850 . . . . . . . . 60 F N . 27729 1 41 . 1 1 61 61 SER H H 1 9.325 . . . . . . . . 61 S HN . 27729 1 42 . 1 1 61 61 SER C C 13 174.625 . . . . . . . . 61 S C . 27729 1 43 . 1 1 61 61 SER CA C 13 56.330 . . . . . . . . 61 S CA . 27729 1 44 . 1 1 61 61 SER CB C 13 65.827 . . . . . . . . 61 S CB . 27729 1 45 . 1 1 61 61 SER N N 15 114.044 . . . . . . . . 61 S N . 27729 1 46 . 1 1 62 62 ILE H H 1 9.525 . . . . . . . . 62 I HN . 27729 1 47 . 1 1 62 62 ILE C C 13 173.959 . . . . . . . . 62 I C . 27729 1 48 . 1 1 62 62 ILE CA C 13 62.640 . . . . . . . . 62 I CA . 27729 1 49 . 1 1 62 62 ILE CB C 13 38.334 . . . . . . . . 62 I CB . 27729 1 50 . 1 1 62 62 ILE N N 15 121.176 . . . . . . . . 62 I N . 27729 1 51 . 1 1 63 63 HIS H H 1 8.778 . . . . . . . . 63 H HN . 27729 1 52 . 1 1 63 63 HIS C C 13 175.834 . . . . . . . . 63 H C . 27729 1 53 . 1 1 63 63 HIS CA C 13 53.232 . . . . . . . . 63 H CA . 27729 1 54 . 1 1 63 63 HIS CB C 13 31.449 . . . . . . . . 63 H CB . 27729 1 55 . 1 1 63 63 HIS N N 15 124.986 . . . . . . . . 63 H N . 27729 1 56 . 1 1 64 64 ASP H H 1 8.897 . . . . . . . . 64 D HN . 27729 1 57 . 1 1 64 64 ASP C C 13 177.255 . . . . . . . . 64 D C . 27729 1 58 . 1 1 64 64 ASP CA C 13 52.497 . . . . . . . . 64 D CA . 27729 1 59 . 1 1 64 64 ASP CB C 13 41.278 . . . . . . . . 64 D CB . 27729 1 60 . 1 1 64 64 ASP N N 15 123.260 . . . . . . . . 64 D N . 27729 1 61 . 1 1 65 65 GLN H H 1 8.008 . . . . . . . . 65 Q HN . 27729 1 62 . 1 1 65 65 GLN C C 13 175.506 . . . . . . . . 65 Q C . 27729 1 63 . 1 1 65 65 GLN CA C 13 55.723 . . . . . . . . 65 Q CA . 27729 1 64 . 1 1 65 65 GLN CB C 13 27.670 . . . . . . . . 65 Q CB . 27729 1 65 . 1 1 65 65 GLN N N 15 115.396 . . . . . . . . 65 Q N . 27729 1 66 . 1 1 66 66 ASP H H 1 8.463 . . . . . . . . 66 D HN . 27729 1 67 . 1 1 66 66 ASP C C 13 174.929 . . . . . . . . 66 D C . 27729 1 68 . 1 1 66 66 ASP CA C 13 52.670 . . . . . . . . 66 D CA . 27729 1 69 . 1 1 66 66 ASP CB C 13 42.062 . . . . . . . . 66 D CB . 27729 1 70 . 1 1 66 66 ASP N N 15 121.727 . . . . . . . . 66 D N . 27729 1 71 . 1 1 67 67 HIS H H 1 8.109 . . . . . . . . 67 H HN . 27729 1 72 . 1 1 67 67 HIS HA H 1 4.291 . . . . . . . . 67 H HA . 27729 1 73 . 1 1 67 67 HIS HB2 H 1 3.584 . . . . . . . . 67 H HB# . 27729 1 74 . 1 1 67 67 HIS HB3 H 1 3.584 . . . . . . . . 67 H HB# . 27729 1 75 . 1 1 67 67 HIS C C 13 174.711 . . . . . . . . 67 H C . 27729 1 76 . 1 1 67 67 HIS CA C 13 57.208 . . . . . . . . 67 H CA . 27729 1 77 . 1 1 67 67 HIS CB C 13 25.862 . . . . . . . . 67 H CB . 27729 1 78 . 1 1 67 67 HIS N N 15 110.826 . . . . . . . . 67 H N . 27729 1 79 . 1 1 68 68 LYS H H 1 8.550 . . . . . . . . 68 K HN . 27729 1 80 . 1 1 68 68 LYS C C 13 175.227 . . . . . . . . 68 K C . 27729 1 81 . 1 1 68 68 LYS CA C 13 55.568 . . . . . . . . 68 K CA . 27729 1 82 . 1 1 68 68 LYS CB C 13 33.189 . . . . . . . . 68 K CB . 27729 1 83 . 1 1 68 68 LYS N N 15 117.882 . . . . . . . . 68 K N . 27729 1 84 . 1 1 69 69 VAL H H 1 9.377 . . . . . . . . 69 V HN . 27729 1 85 . 1 1 69 69 VAL C C 13 173.308 . . . . . . . . 69 V C . 27729 1 86 . 1 1 69 69 VAL CA C 13 58.022 . . . . . . . . 69 V CA . 27729 1 87 . 1 1 69 69 VAL CB C 13 35.346 . . . . . . . . 69 V CB . 27729 1 88 . 1 1 69 69 VAL N N 15 119.748 . . . . . . . . 69 V N . 27729 1 89 . 1 1 70 70 LEU H H 1 7.587 . . . . . . . . 70 L HN . 27729 1 90 . 1 1 70 70 LEU C C 13 177.222 . . . . . . . . 70 L C . 27729 1 91 . 1 1 70 70 LEU CA C 13 55.787 . . . . . . . . 70 L CA . 27729 1 92 . 1 1 70 70 LEU CB C 13 40.470 . . . . . . . . 70 L CB . 27729 1 93 . 1 1 70 70 LEU N N 15 125.152 . . . . . . . . 70 L N . 27729 1 94 . 1 1 71 71 VAL H H 1 8.773 . . . . . . . . 71 V HN . 27729 1 95 . 1 1 71 71 VAL C C 13 172.559 . . . . . . . . 71 V C . 27729 1 96 . 1 1 71 71 VAL CA C 13 59.196 . . . . . . . . 71 V CA . 27729 1 97 . 1 1 71 71 VAL CB C 13 36.172 . . . . . . . . 71 V CB . 27729 1 98 . 1 1 71 71 VAL N N 15 115.180 . . . . . . . . 71 V N . 27729 1 99 . 1 1 72 72 LEU H H 1 8.603 . . . . . . . . 72 L HN . 27729 1 100 . 1 1 72 72 LEU HB2 H 1 1.140 . . . . . . . . 72 L HB1 . 27729 1 101 . 1 1 72 72 LEU HB3 H 1 1.453 . . . . . . . . 72 L HB2 . 27729 1 102 . 1 1 72 72 LEU C C 13 176.004 . . . . . . . . 72 L C . 27729 1 103 . 1 1 72 72 LEU CA C 13 53.121 . . . . . . . . 72 L CA . 27729 1 104 . 1 1 72 72 LEU CB C 13 43.602 . . . . . . . . 72 L CB . 27729 1 105 . 1 1 72 72 LEU N N 15 121.105 . . . . . . . . 72 L N . 27729 1 106 . 1 1 73 73 ASP H H 1 9.040 . . . . . . . . 73 D HN . 27729 1 107 . 1 1 73 73 ASP HB2 H 1 2.432 . . . . . . . . 73 D HB1 . 27729 1 108 . 1 1 73 73 ASP HB3 H 1 2.763 . . . . . . . . 73 D HB2 . 27729 1 109 . 1 1 73 73 ASP C C 13 176.074 . . . . . . . . 73 D C . 27729 1 110 . 1 1 73 73 ASP CA C 13 53.097 . . . . . . . . 73 D CA . 27729 1 111 . 1 1 73 73 ASP CB C 13 44.731 . . . . . . . . 73 D CB . 27729 1 112 . 1 1 73 73 ASP N N 15 122.545 . . . . . . . . 73 D N . 27729 1 113 . 1 1 74 74 SER H H 1 9.148 . . . . . . . . 74 S HN . 27729 1 114 . 1 1 74 74 SER HB2 H 1 4.041 . . . . . . . . 74 S HB1 . 27729 1 115 . 1 1 74 74 SER HB3 H 1 3.911 . . . . . . . . 74 S HB2 . 27729 1 116 . 1 1 74 74 SER C C 13 174.839 . . . . . . . . 74 S C . 27729 1 117 . 1 1 74 74 SER CA C 13 58.047 . . . . . . . . 74 S CA . 27729 1 118 . 1 1 74 74 SER CB C 13 61.595 . . . . . . . . 74 S CB . 27729 1 119 . 1 1 74 74 SER N N 15 121.344 . . . . . . . . 74 S N . 27729 1 120 . 1 1 75 75 GLY H H 1 8.232 . . . . . . . . 75 G HN . 27729 1 121 . 1 1 75 75 GLY HA2 H 1 4.005 . . . . . . . . 75 G HA1 . 27729 1 122 . 1 1 75 75 GLY HA3 H 1 3.243 . . . . . . . . 75 G HA2 . 27729 1 123 . 1 1 75 75 GLY C C 13 172.483 . . . . . . . . 75 G C . 27729 1 124 . 1 1 75 75 GLY CA C 13 44.600 . . . . . . . . 75 G CA . 27729 1 125 . 1 1 75 75 GLY N N 15 103.781 . . . . . . . . 75 G N . 27729 1 126 . 1 1 76 76 ASN H H 1 7.737 . . . . . . . . 76 N HN . 27729 1 127 . 1 1 76 76 ASN HD21 H 1 6.912 . . . . . . . . 76 N HD21 . 27729 1 128 . 1 1 76 76 ASN HD22 H 1 7.547 . . . . . . . . 76 N HD22 . 27729 1 129 . 1 1 76 76 ASN C C 13 173.338 . . . . . . . . 76 N C . 27729 1 130 . 1 1 76 76 ASN CA C 13 51.309 . . . . . . . . 76 N CA . 27729 1 131 . 1 1 76 76 ASN CB C 13 40.956 . . . . . . . . 76 N CB . 27729 1 132 . 1 1 76 76 ASN N N 15 116.547 . . . . . . . . 76 N N . 27729 1 133 . 1 1 76 76 ASN ND2 N 15 114.425 . . . . . . . . 76 N ND2 . 27729 1 134 . 1 1 77 77 LEU H H 1 9.035 . . . . . . . . 77 L HN . 27729 1 135 . 1 1 77 77 LEU C C 13 175.588 . . . . . . . . 77 L C . 27729 1 136 . 1 1 77 77 LEU CA C 13 53.980 . . . . . . . . 77 L CA . 27729 1 137 . 1 1 77 77 LEU CB C 13 41.931 . . . . . . . . 77 L CB . 27729 1 138 . 1 1 77 77 LEU N N 15 124.050 . . . . . . . . 77 L N . 27729 1 139 . 1 1 78 78 ILE H H 1 8.941 . . . . . . . . 78 I HN . 27729 1 140 . 1 1 78 78 ILE C C 13 173.277 . . . . . . . . 78 I C . 27729 1 141 . 1 1 78 78 ILE CA C 13 59.297 . . . . . . . . 78 I CA . 27729 1 142 . 1 1 78 78 ILE CB C 13 41.899 . . . . . . . . 78 I CB . 27729 1 143 . 1 1 78 78 ILE N N 15 120.518 . . . . . . . . 78 I N . 27729 1 144 . 1 1 79 79 ALA H H 1 7.554 . . . . . . . . 79 A HN . 27729 1 145 . 1 1 79 79 ALA C C 13 177.159 . . . . . . . . 79 A C . 27729 1 146 . 1 1 79 79 ALA CA C 13 49.931 . . . . . . . . 79 A CA . 27729 1 147 . 1 1 79 79 ALA CB C 13 20.675 . . . . . . . . 79 A CB . 27729 1 148 . 1 1 79 79 ALA N N 15 120.760 . . . . . . . . 79 A N . 27729 1 149 . 1 1 80 80 VAL H H 1 8.923 . . . . . . . . 80 V HN . 27729 1 150 . 1 1 80 80 VAL C C 13 172.025 . . . . . . . . 80 V C . 27729 1 151 . 1 1 80 80 VAL CA C 13 57.683 . . . . . . . . 80 V CA . 27729 1 152 . 1 1 80 80 VAL CB C 13 31.860 . . . . . . . . 80 V CB . 27729 1 153 . 1 1 80 80 VAL N N 15 118.828 . . . . . . . . 80 V N . 27729 1 154 . 1 1 81 81 PRO C C 13 175.946 . . . . . . . . 81 P C . 27729 1 155 . 1 1 81 81 PRO CA C 13 63.615 . . . . . . . . 81 P CA . 27729 1 156 . 1 1 82 82 ASP H H 1 8.321 . . . . . . . . 82 D HN . 27729 1 157 . 1 1 82 82 ASP C C 13 176.012 . . . . . . . . 82 D C . 27729 1 158 . 1 1 82 82 ASP CA C 13 53.988 . . . . . . . . 82 D CA . 27729 1 159 . 1 1 82 82 ASP CB C 13 39.859 . . . . . . . . 82 D CB . 27729 1 160 . 1 1 82 82 ASP N N 15 122.129 . . . . . . . . 82 D N . 27729 1 161 . 1 1 83 83 LYS H H 1 7.168 . . . . . . . . 83 K HN . 27729 1 162 . 1 1 83 83 LYS C C 13 178.027 . . . . . . . . 83 K C . 27729 1 163 . 1 1 83 83 LYS CA C 13 52.805 . . . . . . . . 83 K CA . 27729 1 164 . 1 1 83 83 LYS CB C 13 36.144 . . . . . . . . 83 K CB . 27729 1 165 . 1 1 83 83 LYS N N 15 123.156 . . . . . . . . 83 K N . 27729 1 166 . 1 1 84 84 ASN C C 13 175.156 . . . . . . . . 84 N C . 27729 1 167 . 1 1 84 84 ASN CA C 13 55.696 . . . . . . . . 84 N CA . 27729 1 168 . 1 1 84 84 ASN CB C 13 38.145 . . . . . . . . 84 N CB . 27729 1 169 . 1 1 85 85 TYR H H 1 6.414 . . . . . . . . 85 Y HN . 27729 1 170 . 1 1 85 85 TYR C C 13 173.140 . . . . . . . . 85 Y C . 27729 1 171 . 1 1 85 85 TYR CA C 13 55.582 . . . . . . . . 85 Y CA . 27729 1 172 . 1 1 85 85 TYR CB C 13 36.379 . . . . . . . . 85 Y CB . 27729 1 173 . 1 1 85 85 TYR N N 15 110.159 . . . . . . . . 85 Y N . 27729 1 174 . 1 1 86 86 ILE H H 1 7.331 . . . . . . . . 86 I HN . 27729 1 175 . 1 1 86 86 ILE C C 13 175.820 . . . . . . . . 86 I C . 27729 1 176 . 1 1 86 86 ILE CA C 13 57.922 . . . . . . . . 86 I CA . 27729 1 177 . 1 1 86 86 ILE CB C 13 36.474 . . . . . . . . 86 I CB . 27729 1 178 . 1 1 86 86 ILE N N 15 123.489 . . . . . . . . 86 I N . 27729 1 179 . 1 1 87 87 ARG H H 1 9.309 . . . . . . . . 87 R HN . 27729 1 180 . 1 1 87 87 ARG HB2 H 1 1.837 . . . . . . . . 87 R HB1 . 27729 1 181 . 1 1 87 87 ARG HB3 H 1 1.604 . . . . . . . . 87 R HB2 . 27729 1 182 . 1 1 87 87 ARG HD2 H 1 3.234 . . . . . . . . 87 R HD1 . 27729 1 183 . 1 1 87 87 ARG HD3 H 1 3.233 . . . . . . . . 87 R HD2 . 27729 1 184 . 1 1 87 87 ARG C C 13 173.074 . . . . . . . . 87 R C . 27729 1 185 . 1 1 87 87 ARG CA C 13 52.016 . . . . . . . . 87 R CA . 27729 1 186 . 1 1 87 87 ARG CB C 13 30.256 . . . . . . . . 87 R CB . 27729 1 187 . 1 1 87 87 ARG CD C 13 43.512 . . . . . . . . 87 R CD . 27729 1 188 . 1 1 87 87 ARG N N 15 129.407 . . . . . . . . 87 R N . 27729 1 189 . 1 1 88 88 PRO C C 13 176.331 . . . . . . . . 88 P C . 27729 1 190 . 1 1 88 88 PRO CA C 13 62.036 . . . . . . . . 88 P CA . 27729 1 191 . 1 1 88 88 PRO CB C 13 32.785 . . . . . . . . 88 P CB . 27729 1 192 . 1 1 89 89 GLU H H 1 7.911 . . . . . . . . 89 E HN . 27729 1 193 . 1 1 89 89 GLU C C 13 175.421 . . . . . . . . 89 E C . 27729 1 194 . 1 1 89 89 GLU CA C 13 56.030 . . . . . . . . 89 E CA . 27729 1 195 . 1 1 89 89 GLU CB C 13 28.949 . . . . . . . . 89 E CB . 27729 1 196 . 1 1 89 89 GLU N N 15 121.174 . . . . . . . . 89 E N . 27729 1 197 . 1 1 90 90 ILE H H 1 7.732 . . . . . . . . 90 I HN . 27729 1 198 . 1 1 90 90 ILE C C 13 175.350 . . . . . . . . 90 I C . 27729 1 199 . 1 1 90 90 ILE CA C 13 59.476 . . . . . . . . 90 I CA . 27729 1 200 . 1 1 90 90 ILE CB C 13 35.473 . . . . . . . . 90 I CB . 27729 1 201 . 1 1 90 90 ILE N N 15 126.509 . . . . . . . . 90 I N . 27729 1 202 . 1 1 91 91 PHE H H 1 9.139 . . . . . . . . 91 F HN . 27729 1 203 . 1 1 91 91 PHE C C 13 174.626 . . . . . . . . 91 F C . 27729 1 204 . 1 1 91 91 PHE CA C 13 56.964 . . . . . . . . 91 F CA . 27729 1 205 . 1 1 91 91 PHE CB C 13 39.422 . . . . . . . . 91 F CB . 27729 1 206 . 1 1 91 91 PHE N N 15 128.618 . . . . . . . . 91 F N . 27729 1 207 . 1 1 92 92 PHE H H 1 8.903 . . . . . . . . 92 F HN . 27729 1 208 . 1 1 92 92 PHE C C 13 174.550 . . . . . . . . 92 F C . 27729 1 209 . 1 1 92 92 PHE CA C 13 53.374 . . . . . . . . 92 F CA . 27729 1 210 . 1 1 92 92 PHE CB C 13 40.401 . . . . . . . . 92 F CB . 27729 1 211 . 1 1 92 92 PHE N N 15 118.932 . . . . . . . . 92 F N . 27729 1 212 . 1 1 93 93 ALA H H 1 9.201 . . . . . . . . 93 A HN . 27729 1 213 . 1 1 93 93 ALA C C 13 177.038 . . . . . . . . 93 A C . 27729 1 214 . 1 1 93 93 ALA CA C 13 49.902 . . . . . . . . 93 A CA . 27729 1 215 . 1 1 93 93 ALA CB C 13 22.184 . . . . . . . . 93 A CB . 27729 1 216 . 1 1 93 93 ALA N N 15 123.067 . . . . . . . . 93 A N . 27729 1 217 . 1 1 94 94 LEU H H 1 8.711 . . . . . . . . 94 L HN . 27729 1 218 . 1 1 94 94 LEU HB2 H 1 1.720 . . . . . . . . 94 L HB1 . 27729 1 219 . 1 1 94 94 LEU HB3 H 1 1.190 . . . . . . . . 94 L HB2 . 27729 1 220 . 1 1 94 94 LEU C C 13 175.038 . . . . . . . . 94 L C . 27729 1 221 . 1 1 94 94 LEU CA C 13 52.579 . . . . . . . . 94 L CA . 27729 1 222 . 1 1 94 94 LEU CB C 13 46.898 . . . . . . . . 94 L CB . 27729 1 223 . 1 1 94 94 LEU N N 15 124.048 . . . . . . . . 94 L N . 27729 1 224 . 1 1 95 95 ALA H H 1 8.460 . . . . . . . . 95 A HN . 27729 1 225 . 1 1 95 95 ALA C C 13 176.994 . . . . . . . . 95 A C . 27729 1 226 . 1 1 95 95 ALA CA C 13 53.124 . . . . . . . . 95 A CA . 27729 1 227 . 1 1 95 95 ALA CB C 13 18.592 . . . . . . . . 95 A CB . 27729 1 228 . 1 1 95 95 ALA N N 15 127.083 . . . . . . . . 95 A N . 27729 1 229 . 1 1 96 96 SER H H 1 7.964 . . . . . . . . 96 S HN . 27729 1 230 . 1 1 96 96 SER C C 13 172.984 . . . . . . . . 96 S C . 27729 1 231 . 1 1 96 96 SER CA C 13 56.221 . . . . . . . . 96 S CA . 27729 1 232 . 1 1 96 96 SER N N 15 116.677 . . . . . . . . 96 S N . 27729 1 233 . 1 1 97 97 SER H H 1 8.266 . . . . . . . . 97 S HN . 27729 1 234 . 1 1 97 97 SER C C 13 173.263 . . . . . . . . 97 S C . 27729 1 235 . 1 1 97 97 SER CA C 13 57.953 . . . . . . . . 97 S CA . 27729 1 236 . 1 1 97 97 SER CB C 13 64.768 . . . . . . . . 97 S CB . 27729 1 237 . 1 1 97 97 SER N N 15 115.930 . . . . . . . . 97 S N . 27729 1 238 . 1 1 98 98 LEU H H 1 8.184 . . . . . . . . 98 L HN . 27729 1 239 . 1 1 98 98 LEU HB2 H 1 1.431 . . . . . . . . 98 L HB1 . 27729 1 240 . 1 1 98 98 LEU HB3 H 1 1.548 . . . . . . . . 98 L HB2 . 27729 1 241 . 1 1 98 98 LEU C C 13 177.080 . . . . . . . . 98 L C . 27729 1 242 . 1 1 98 98 LEU CA C 13 53.717 . . . . . . . . 98 L CA . 27729 1 243 . 1 1 98 98 LEU CB C 13 44.741 . . . . . . . . 98 L CB . 27729 1 244 . 1 1 98 98 LEU N N 15 121.227 . . . . . . . . 98 L N . 27729 1 245 . 1 1 99 99 SER H H 1 9.787 . . . . . . . . 99 S HN . 27729 1 246 . 1 1 99 99 SER HB2 H 1 3.952 . . . . . . . . 99 S HB1 . 27729 1 247 . 1 1 99 99 SER HB3 H 1 3.998 . . . . . . . . 99 S HB2 . 27729 1 248 . 1 1 99 99 SER C C 13 175.071 . . . . . . . . 99 S C . 27729 1 249 . 1 1 99 99 SER CA C 13 60.623 . . . . . . . . 99 S CA . 27729 1 250 . 1 1 99 99 SER CB C 13 62.594 . . . . . . . . 99 S CB . 27729 1 251 . 1 1 99 99 SER N N 15 121.941 . . . . . . . . 99 S N . 27729 1 252 . 1 1 100 100 SER H H 1 7.901 . . . . . . . . 100 S HN . 27729 1 253 . 1 1 100 100 SER C C 13 173.982 . . . . . . . . 100 S C . 27729 1 254 . 1 1 100 100 SER CA C 13 57.087 . . . . . . . . 100 S CA . 27729 1 255 . 1 1 100 100 SER CB C 13 62.893 . . . . . . . . 100 S CB . 27729 1 256 . 1 1 100 100 SER N N 15 114.396 . . . . . . . . 100 S N . 27729 1 257 . 1 1 101 101 ALA H H 1 7.794 . . . . . . . . 101 A HN . 27729 1 258 . 1 1 101 101 ALA HA H 1 4.374 . . . . . . . . 101 A HA . 27729 1 259 . 1 1 101 101 ALA HB1 H 1 1.520 . . . . . . . . 101 A HB# . 27729 1 260 . 1 1 101 101 ALA HB2 H 1 1.520 . . . . . . . . 101 A HB# . 27729 1 261 . 1 1 101 101 ALA HB3 H 1 1.520 . . . . . . . . 101 A HB# . 27729 1 262 . 1 1 101 101 ALA C C 13 177.643 . . . . . . . . 101 A C . 27729 1 263 . 1 1 101 101 ALA CA C 13 52.334 . . . . . . . . 101 A CA . 27729 1 264 . 1 1 101 101 ALA CB C 13 19.230 . . . . . . . . 101 A CB . 27729 1 265 . 1 1 101 101 ALA N N 15 124.419 . . . . . . . . 101 A N . 27729 1 266 . 1 1 102 102 SER H H 1 7.987 . . . . . . . . 102 S HN . 27729 1 267 . 1 1 102 102 SER HB2 H 1 3.734 . . . . . . . . 102 S HB1 . 27729 1 268 . 1 1 102 102 SER HB3 H 1 3.755 . . . . . . . . 102 S HB2 . 27729 1 269 . 1 1 102 102 SER C C 13 175.764 . . . . . . . . 102 S C . 27729 1 270 . 1 1 102 102 SER CA C 13 56.909 . . . . . . . . 102 S CA . 27729 1 271 . 1 1 102 102 SER CB C 13 63.579 . . . . . . . . 102 S CB . 27729 1 272 . 1 1 102 102 SER N N 15 115.956 . . . . . . . . 102 S N . 27729 1 273 . 1 1 103 103 ALA H H 1 8.848 . . . . . . . . 103 A HN . 27729 1 274 . 1 1 103 103 ALA HA H 1 4.259 . . . . . . . . 103 A HA . 27729 1 275 . 1 1 103 103 ALA HB1 H 1 1.430 . . . . . . . . 103 A HB# . 27729 1 276 . 1 1 103 103 ALA HB2 H 1 1.430 . . . . . . . . 103 A HB# . 27729 1 277 . 1 1 103 103 ALA HB3 H 1 1.430 . . . . . . . . 103 A HB# . 27729 1 278 . 1 1 103 103 ALA C C 13 178.961 . . . . . . . . 103 A C . 27729 1 279 . 1 1 103 103 ALA CA C 13 54.322 . . . . . . . . 103 A CA . 27729 1 280 . 1 1 103 103 ALA CB C 13 18.125 . . . . . . . . 103 A CB . 27729 1 281 . 1 1 103 103 ALA N N 15 129.135 . . . . . . . . 103 A N . 27729 1 282 . 1 1 104 104 GLU H H 1 8.843 . . . . . . . . 104 E HN . 27729 1 283 . 1 1 104 104 GLU HA H 1 4.165 . . . . . . . . 104 E HA . 27729 1 284 . 1 1 104 104 GLU C C 13 177.308 . . . . . . . . 104 E C . 27729 1 285 . 1 1 104 104 GLU CA C 13 57.468 . . . . . . . . 104 E CA . 27729 1 286 . 1 1 104 104 GLU CB C 13 28.285 . . . . . . . . 104 E CB . 27729 1 287 . 1 1 104 104 GLU N N 15 116.481 . . . . . . . . 104 E N . 27729 1 288 . 1 1 105 105 LYS H H 1 7.348 . . . . . . . . 105 K HN . 27729 1 289 . 1 1 105 105 LYS C C 13 175.218 . . . . . . . . 105 K C . 27729 1 290 . 1 1 105 105 LYS CA C 13 56.221 . . . . . . . . 105 K CA . 27729 1 291 . 1 1 105 105 LYS CB C 13 31.641 . . . . . . . . 105 K CB . 27729 1 292 . 1 1 105 105 LYS N N 15 118.255 . . . . . . . . 105 K N . 27729 1 293 . 1 1 106 106 GLY H H 1 7.294 . . . . . . . . 106 G HN . 27729 1 294 . 1 1 106 106 GLY C C 13 173.416 . . . . . . . . 106 G C . 27729 1 295 . 1 1 106 106 GLY CA C 13 43.237 . . . . . . . . 106 G CA . 27729 1 296 . 1 1 106 106 GLY N N 15 102.674 . . . . . . . . 106 G N . 27729 1 297 . 1 1 107 107 SER H H 1 8.442 . . . . . . . . 107 S HN . 27729 1 298 . 1 1 107 107 SER HB2 H 1 3.903 . . . . . . . . 107 S HB1 . 27729 1 299 . 1 1 107 107 SER HB3 H 1 4.170 . . . . . . . . 107 S HB2 . 27729 1 300 . 1 1 107 107 SER CA C 13 55.710 . . . . . . . . 107 S CA . 27729 1 301 . 1 1 107 107 SER CB C 13 64.383 . . . . . . . . 107 S CB . 27729 1 302 . 1 1 107 107 SER N N 15 117.016 . . . . . . . . 107 S N . 27729 1 303 . 1 1 108 108 PRO C C 13 177.257 . . . . . . . . 108 P C . 27729 1 304 . 1 1 108 108 PRO CA C 13 62.356 . . . . . . . . 108 P CA . 27729 1 305 . 1 1 108 108 PRO CB C 13 31.050 . . . . . . . . 108 P CB . 27729 1 306 . 1 1 109 109 ILE H H 1 9.739 . . . . . . . . 109 I HN . 27729 1 307 . 1 1 109 109 ILE C C 13 174.084 . . . . . . . . 109 I C . 27729 1 308 . 1 1 109 109 ILE CA C 13 59.622 . . . . . . . . 109 I CA . 27729 1 309 . 1 1 109 109 ILE CB C 13 43.029 . . . . . . . . 109 I CB . 27729 1 310 . 1 1 109 109 ILE N N 15 121.711 . . . . . . . . 109 I N . 27729 1 311 . 1 1 110 110 LEU H H 1 8.703 . . . . . . . . 110 L HN . 27729 1 312 . 1 1 110 110 LEU C C 13 176.610 . . . . . . . . 110 L C . 27729 1 313 . 1 1 110 110 LEU CA C 13 53.379 . . . . . . . . 110 L CA . 27729 1 314 . 1 1 110 110 LEU CB C 13 44.824 . . . . . . . . 110 L CB . 27729 1 315 . 1 1 110 110 LEU N N 15 119.628 . . . . . . . . 110 L N . 27729 1 316 . 1 1 111 111 LEU H H 1 10.596 . . . . . . . . 111 L HN . 27729 1 317 . 1 1 111 111 LEU C C 13 174.943 . . . . . . . . 111 L C . 27729 1 318 . 1 1 111 111 LEU CA C 13 53.723 . . . . . . . . 111 L CA . 27729 1 319 . 1 1 111 111 LEU CB C 13 46.570 . . . . . . . . 111 L CB . 27729 1 320 . 1 1 111 111 LEU N N 15 122.817 . . . . . . . . 111 L N . 27729 1 321 . 1 1 112 112 GLY H H 1 9.544 . . . . . . . . 112 G HN . 27729 1 322 . 1 1 112 112 GLY HA2 H 1 3.431 . . . . . . . . 112 G HA# . 27729 1 323 . 1 1 112 112 GLY HA3 H 1 3.431 . . . . . . . . 112 G HA# . 27729 1 324 . 1 1 112 112 GLY C C 13 172.372 . . . . . . . . 112 G C . 27729 1 325 . 1 1 112 112 GLY CA C 13 44.125 . . . . . . . . 112 G CA . 27729 1 326 . 1 1 112 112 GLY N N 15 109.425 . . . . . . . . 112 G N . 27729 1 327 . 1 1 113 113 VAL H H 1 8.838 . . . . . . . . 113 V HN . 27729 1 328 . 1 1 113 113 VAL C C 13 176.621 . . . . . . . . 113 V C . 27729 1 329 . 1 1 113 113 VAL CA C 13 58.981 . . . . . . . . 113 V CA . 27729 1 330 . 1 1 113 113 VAL CB C 13 33.924 . . . . . . . . 113 V CB . 27729 1 331 . 1 1 113 113 VAL N N 15 111.876 . . . . . . . . 113 V N . 27729 1 332 . 1 1 114 114 SER H H 1 9.565 . . . . . . . . 114 S HN . 27729 1 333 . 1 1 114 114 SER HB2 H 1 3.485 . . . . . . . . 114 S HB1 . 27729 1 334 . 1 1 114 114 SER HB3 H 1 4.323 . . . . . . . . 114 S HB2 . 27729 1 335 . 1 1 114 114 SER C C 13 176.532 . . . . . . . . 114 S C . 27729 1 336 . 1 1 114 114 SER CA C 13 57.653 . . . . . . . . 114 S CA . 27729 1 337 . 1 1 114 114 SER CB C 13 62.092 . . . . . . . . 114 S CB . 27729 1 338 . 1 1 114 114 SER N N 15 119.647 . . . . . . . . 114 S N . 27729 1 339 . 1 1 115 115 LYS H H 1 8.986 . . . . . . . . 115 K HN . 27729 1 340 . 1 1 115 115 LYS C C 13 176.498 . . . . . . . . 115 K C . 27729 1 341 . 1 1 115 115 LYS CA C 13 56.793 . . . . . . . . 115 K CA . 27729 1 342 . 1 1 115 115 LYS CB C 13 29.050 . . . . . . . . 115 K CB . 27729 1 343 . 1 1 115 115 LYS N N 15 114.989 . . . . . . . . 115 K N . 27729 1 344 . 1 1 116 116 GLY H H 1 7.248 . . . . . . . . 116 G HN . 27729 1 345 . 1 1 116 116 GLY C C 13 173.059 . . . . . . . . 116 G C . 27729 1 346 . 1 1 116 116 GLY CA C 13 45.095 . . . . . . . . 116 G CA . 27729 1 347 . 1 1 116 116 GLY N N 15 104.121 . . . . . . . . 116 G N . 27729 1 348 . 1 1 117 117 GLU H H 1 7.449 . . . . . . . . 117 E HN . 27729 1 349 . 1 1 117 117 GLU C C 13 174.964 . . . . . . . . 117 E C . 27729 1 350 . 1 1 117 117 GLU CA C 13 56.596 . . . . . . . . 117 E CA . 27729 1 351 . 1 1 117 117 GLU CB C 13 29.897 . . . . . . . . 117 E CB . 27729 1 352 . 1 1 117 117 GLU N N 15 117.527 . . . . . . . . 117 E N . 27729 1 353 . 1 1 118 118 PHE H H 1 7.649 . . . . . . . . 118 F HN . 27729 1 354 . 1 1 118 118 PHE C C 13 175.363 . . . . . . . . 118 F C . 27729 1 355 . 1 1 118 118 PHE CA C 13 55.707 . . . . . . . . 118 F CA . 27729 1 356 . 1 1 118 118 PHE CB C 13 43.129 . . . . . . . . 118 F CB . 27729 1 357 . 1 1 118 118 PHE N N 15 113.436 . . . . . . . . 118 F N . 27729 1 358 . 1 1 119 119 CYS H H 1 9.154 . . . . . . . . 119 C HN . 27729 1 359 . 1 1 119 119 CYS C C 13 174.485 . . . . . . . . 119 C C . 27729 1 360 . 1 1 119 119 CYS CA C 13 57.948 . . . . . . . . 119 C CA . 27729 1 361 . 1 1 119 119 CYS CB C 13 32.401 . . . . . . . . 119 C CB . 27729 1 362 . 1 1 119 119 CYS N N 15 116.026 . . . . . . . . 119 C N . 27729 1 363 . 1 1 120 120 LEU H H 1 8.664 . . . . . . . . 120 L HN . 27729 1 364 . 1 1 120 120 LEU C C 13 175.493 . . . . . . . . 120 L C . 27729 1 365 . 1 1 120 120 LEU CA C 13 56.978 . . . . . . . . 120 L CA . 27729 1 366 . 1 1 120 120 LEU CB C 13 42.852 . . . . . . . . 120 L CB . 27729 1 367 . 1 1 120 120 LEU N N 15 124.894 . . . . . . . . 120 L N . 27729 1 368 . 1 1 121 121 TYR H H 1 8.759 . . . . . . . . 121 Y HN . 27729 1 369 . 1 1 121 121 TYR C C 13 173.073 . . . . . . . . 121 Y C . 27729 1 370 . 1 1 121 121 TYR CA C 13 56.307 . . . . . . . . 121 Y CA . 27729 1 371 . 1 1 121 121 TYR CB C 13 41.871 . . . . . . . . 121 Y CB . 27729 1 372 . 1 1 121 121 TYR N N 15 119.175 . . . . . . . . 121 Y N . 27729 1 373 . 1 1 122 122 CYS H H 1 8.176 . . . . . . . . 122 C HN . 27729 1 374 . 1 1 122 122 CYS C C 13 171.525 . . . . . . . . 122 C C . 27729 1 375 . 1 1 122 122 CYS CA C 13 56.312 . . . . . . . . 122 C CA . 27729 1 376 . 1 1 122 122 CYS CB C 13 28.419 . . . . . . . . 122 C CB . 27729 1 377 . 1 1 122 122 CYS N N 15 125.901 . . . . . . . . 122 C N . 27729 1 378 . 1 1 123 123 ASP H H 1 7.768 . . . . . . . . 123 D HN . 27729 1 379 . 1 1 123 123 ASP HB2 H 1 2.564 . . . . . . . . 123 D HB1 . 27729 1 380 . 1 1 123 123 ASP HB3 H 1 2.221 . . . . . . . . 123 D HB2 . 27729 1 381 . 1 1 123 123 ASP C C 13 174.295 . . . . . . . . 123 D C . 27729 1 382 . 1 1 123 123 ASP CA C 13 51.688 . . . . . . . . 123 D CA . 27729 1 383 . 1 1 123 123 ASP CB C 13 44.073 . . . . . . . . 123 D CB . 27729 1 384 . 1 1 123 123 ASP N N 15 121.191 . . . . . . . . 123 D N . 27729 1 385 . 1 1 124 124 LYS H H 1 8.378 . . . . . . . . 124 K HN . 27729 1 386 . 1 1 124 124 LYS C C 13 174.983 . . . . . . . . 124 K C . 27729 1 387 . 1 1 124 124 LYS CA C 13 54.920 . . . . . . . . 124 K CA . 27729 1 388 . 1 1 124 124 LYS CB C 13 33.744 . . . . . . . . 124 K CB . 27729 1 389 . 1 1 124 124 LYS N N 15 120.172 . . . . . . . . 124 K N . 27729 1 390 . 1 1 125 125 ASP H H 1 8.600 . . . . . . . . 125 D HN . 27729 1 391 . 1 1 125 125 ASP HB2 H 1 2.575 . . . . . . . . 125 D HB1 . 27729 1 392 . 1 1 125 125 ASP HB3 H 1 2.422 . . . . . . . . 125 D HB2 . 27729 1 393 . 1 1 125 125 ASP C C 13 176.185 . . . . . . . . 125 D C . 27729 1 394 . 1 1 125 125 ASP CA C 13 53.074 . . . . . . . . 125 D CA . 27729 1 395 . 1 1 125 125 ASP CB C 13 41.695 . . . . . . . . 125 D CB . 27729 1 396 . 1 1 125 125 ASP N N 15 126.174 . . . . . . . . 125 D N . 27729 1 397 . 1 1 126 126 LYS H H 1 8.536 . . . . . . . . 126 K HN . 27729 1 398 . 1 1 126 126 LYS C C 13 177.772 . . . . . . . . 126 K C . 27729 1 399 . 1 1 126 126 LYS CA C 13 57.702 . . . . . . . . 126 K CA . 27729 1 400 . 1 1 126 126 LYS CB C 13 31.203 . . . . . . . . 126 K CB . 27729 1 401 . 1 1 126 126 LYS N N 15 120.837 . . . . . . . . 126 K N . 27729 1 402 . 1 1 127 127 GLY H H 1 8.711 . . . . . . . . 127 G HN . 27729 1 403 . 1 1 127 127 GLY HA2 H 1 3.738 . . . . . . . . 127 G HA1 . 27729 1 404 . 1 1 127 127 GLY HA3 H 1 4.032 . . . . . . . . 127 G HA2 . 27729 1 405 . 1 1 127 127 GLY C C 13 174.383 . . . . . . . . 127 G C . 27729 1 406 . 1 1 127 127 GLY CA C 13 45.128 . . . . . . . . 127 G CA . 27729 1 407 . 1 1 127 127 GLY N N 15 111.304 . . . . . . . . 127 G N . 27729 1 408 . 1 1 128 128 GLN H H 1 7.806 . . . . . . . . 128 Q HN . 27729 1 409 . 1 1 128 128 GLN HB2 H 1 1.946 . . . . . . . . 128 Q HB# . 27729 1 410 . 1 1 128 128 GLN HB3 H 1 1.946 . . . . . . . . 128 Q HB# . 27729 1 411 . 1 1 128 128 GLN HG2 H 1 2.325 . . . . . . . . 128 Q HG1 . 27729 1 412 . 1 1 128 128 GLN HG3 H 1 2.204 . . . . . . . . 128 Q HG2 . 27729 1 413 . 1 1 128 128 GLN HE21 H 1 6.813 . . . . . . . . 128 Q HE21 . 27729 1 414 . 1 1 128 128 GLN HE22 H 1 7.566 . . . . . . . . 128 Q HE22 . 27729 1 415 . 1 1 128 128 GLN C C 13 176.270 . . . . . . . . 128 Q C . 27729 1 416 . 1 1 128 128 GLN CA C 13 54.475 . . . . . . . . 128 Q CA . 27729 1 417 . 1 1 128 128 GLN CB C 13 29.243 . . . . . . . . 128 Q CB . 27729 1 418 . 1 1 128 128 GLN CG C 13 33.456 . . . . . . . . 128 Q CG . 27729 1 419 . 1 1 128 128 GLN N N 15 118.845 . . . . . . . . 128 Q N . 27729 1 420 . 1 1 128 128 GLN NE2 N 15 112.938 . . . . . . . . 128 Q NE2 . 27729 1 421 . 1 1 129 129 SER CA C 13 59.208 . . . . . . . . 129 S CA . 27729 1 422 . 1 1 129 129 SER CB C 13 63.910 . . . . . . . . 129 S CB . 27729 1 423 . 1 1 130 130 HIS H H 1 7.483 . . . . . . . . 130 H HN . 27729 1 424 . 1 1 130 130 HIS HB2 H 1 2.760 . . . . . . . . 130 H HB1 . 27729 1 425 . 1 1 130 130 HIS HB3 H 1 2.991 . . . . . . . . 130 H HB2 . 27729 1 426 . 1 1 130 130 HIS CA C 13 51.854 . . . . . . . . 130 H CA . 27729 1 427 . 1 1 130 130 HIS CB C 13 29.778 . . . . . . . . 130 H CB . 27729 1 428 . 1 1 130 130 HIS N N 15 117.329 . . . . . . . . 130 H N . 27729 1 429 . 1 1 131 131 PRO C C 13 173.248 . . . . . . . . 131 P C . 27729 1 430 . 1 1 131 131 PRO CA C 13 61.516 . . . . . . . . 131 P CA . 27729 1 431 . 1 1 131 131 PRO CB C 13 31.334 . . . . . . . . 131 P CB . 27729 1 432 . 1 1 132 132 SER H H 1 8.073 . . . . . . . . 132 S HN . 27729 1 433 . 1 1 132 132 SER HB2 H 1 3.777 . . . . . . . . 132 S HB1 . 27729 1 434 . 1 1 132 132 SER HB3 H 1 3.811 . . . . . . . . 132 S HB2 . 27729 1 435 . 1 1 132 132 SER C C 13 172.209 . . . . . . . . 132 S C . 27729 1 436 . 1 1 132 132 SER CA C 13 56.417 . . . . . . . . 132 S CA . 27729 1 437 . 1 1 132 132 SER CB C 13 65.977 . . . . . . . . 132 S CB . 27729 1 438 . 1 1 132 132 SER N N 15 112.649 . . . . . . . . 132 S N . 27729 1 439 . 1 1 133 133 LEU H H 1 8.947 . . . . . . . . 133 L HN . 27729 1 440 . 1 1 133 133 LEU C C 13 176.159 . . . . . . . . 133 L C . 27729 1 441 . 1 1 133 133 LEU CA C 13 53.453 . . . . . . . . 133 L CA . 27729 1 442 . 1 1 133 133 LEU CB C 13 43.275 . . . . . . . . 133 L CB . 27729 1 443 . 1 1 133 133 LEU N N 15 124.385 . . . . . . . . 133 L N . 27729 1 444 . 1 1 134 134 GLN H H 1 9.430 . . . . . . . . 134 Q HN . 27729 1 445 . 1 1 134 134 GLN HE21 H 1 6.945 . . . . . . . . 134 Q HE21 . 27729 1 446 . 1 1 134 134 GLN HE22 H 1 7.278 . . . . . . . . 134 Q HE22 . 27729 1 447 . 1 1 134 134 GLN C C 13 173.279 . . . . . . . . 134 Q C . 27729 1 448 . 1 1 134 134 GLN CA C 13 53.722 . . . . . . . . 134 Q CA . 27729 1 449 . 1 1 134 134 GLN CB C 13 33.370 . . . . . . . . 134 Q CB . 27729 1 450 . 1 1 134 134 GLN N N 15 125.858 . . . . . . . . 134 Q N . 27729 1 451 . 1 1 134 134 GLN NE2 N 15 112.194 . . . . . . . . 134 Q NE2 . 27729 1 452 . 1 1 135 135 LEU H H 1 8.579 . . . . . . . . 135 L HN . 27729 1 453 . 1 1 135 135 LEU C C 13 177.007 . . . . . . . . 135 L C . 27729 1 454 . 1 1 135 135 LEU CA C 13 53.499 . . . . . . . . 135 L CA . 27729 1 455 . 1 1 135 135 LEU CB C 13 42.963 . . . . . . . . 135 L CB . 27729 1 456 . 1 1 135 135 LEU N N 15 119.209 . . . . . . . . 135 L N . 27729 1 457 . 1 1 136 136 LYS H H 1 8.929 . . . . . . . . 136 K HN . 27729 1 458 . 1 1 136 136 LYS C C 13 175.804 . . . . . . . . 136 K C . 27729 1 459 . 1 1 136 136 LYS CA C 13 53.505 . . . . . . . . 136 K CA . 27729 1 460 . 1 1 136 136 LYS CB C 13 35.136 . . . . . . . . 136 K CB . 27729 1 461 . 1 1 136 136 LYS N N 15 122.328 . . . . . . . . 136 K N . 27729 1 462 . 1 1 137 137 LYS H H 1 8.999 . . . . . . . . 137 K HN . 27729 1 463 . 1 1 137 137 LYS HB2 H 1 1.796 . . . . . . . . 137 K HB1 . 27729 1 464 . 1 1 137 137 LYS HB3 H 1 1.328 . . . . . . . . 137 K HB2 . 27729 1 465 . 1 1 137 137 LYS C C 13 173.695 . . . . . . . . 137 K C . 27729 1 466 . 1 1 137 137 LYS CA C 13 56.182 . . . . . . . . 137 K CA . 27729 1 467 . 1 1 137 137 LYS CB C 13 30.116 . . . . . . . . 137 K CB . 27729 1 468 . 1 1 137 137 LYS N N 15 127.217 . . . . . . . . 137 K N . 27729 1 469 . 1 1 138 138 GLU H H 1 7.642 . . . . . . . . 138 E HN . 27729 1 470 . 1 1 138 138 GLU C C 13 172.931 . . . . . . . . 138 E C . 27729 1 471 . 1 1 138 138 GLU CA C 13 54.409 . . . . . . . . 138 E CA . 27729 1 472 . 1 1 138 138 GLU CB C 13 31.989 . . . . . . . . 138 E CB . 27729 1 473 . 1 1 138 138 GLU N N 15 131.298 . . . . . . . . 138 E N . 27729 1 474 . 1 1 139 139 LYS H H 1 8.357 . . . . . . . . 139 K HN . 27729 1 475 . 1 1 139 139 LYS HB2 H 1 1.533 . . . . . . . . 139 K HB# . 27729 1 476 . 1 1 139 139 LYS HB3 H 1 1.533 . . . . . . . . 139 K HB# . 27729 1 477 . 1 1 139 139 LYS C C 13 178.138 . . . . . . . . 139 K C . 27729 1 478 . 1 1 139 139 LYS CA C 13 55.573 . . . . . . . . 139 K CA . 27729 1 479 . 1 1 139 139 LYS CB C 13 32.436 . . . . . . . . 139 K CB . 27729 1 480 . 1 1 139 139 LYS N N 15 122.093 . . . . . . . . 139 K N . 27729 1 481 . 1 1 140 140 LEU H H 1 8.476 . . . . . . . . 140 L HN . 27729 1 482 . 1 1 140 140 LEU HA H 1 3.921 . . . . . . . . 140 L HA . 27729 1 483 . 1 1 140 140 LEU C C 13 177.260 . . . . . . . . 140 L C . 27729 1 484 . 1 1 140 140 LEU CA C 13 58.456 . . . . . . . . 140 L CA . 27729 1 485 . 1 1 140 140 LEU CB C 13 42.611 . . . . . . . . 140 L CB . 27729 1 486 . 1 1 140 140 LEU N N 15 128.082 . . . . . . . . 140 L N . 27729 1 487 . 1 1 141 141 MET H H 1 8.455 . . . . . . . . 141 M HN . 27729 1 488 . 1 1 141 141 MET HA H 1 4.123 . . . . . . . . 141 M HA . 27729 1 489 . 1 1 141 141 MET C C 13 178.745 . . . . . . . . 141 M C . 27729 1 490 . 1 1 141 141 MET CA C 13 56.779 . . . . . . . . 141 M CA . 27729 1 491 . 1 1 141 141 MET CB C 13 30.201 . . . . . . . . 141 M CB . 27729 1 492 . 1 1 141 141 MET N N 15 110.731 . . . . . . . . 141 M N . 27729 1 493 . 1 1 142 142 LYS H H 1 6.940 . . . . . . . . 142 K HN . 27729 1 494 . 1 1 142 142 LYS HA H 1 4.129 . . . . . . . . 142 K HA . 27729 1 495 . 1 1 142 142 LYS C C 13 179.397 . . . . . . . . 142 K C . 27729 1 496 . 1 1 142 142 LYS CA C 13 57.588 . . . . . . . . 142 K CA . 27729 1 497 . 1 1 142 142 LYS CB C 13 31.947 . . . . . . . . 142 K CB . 27729 1 498 . 1 1 142 142 LYS N N 15 118.101 . . . . . . . . 142 K N . 27729 1 499 . 1 1 143 143 LEU H H 1 8.228 . . . . . . . . 143 L HN . 27729 1 500 . 1 1 143 143 LEU C C 13 178.984 . . . . . . . . 143 L C . 27729 1 501 . 1 1 143 143 LEU CA C 13 57.164 . . . . . . . . 143 L CA . 27729 1 502 . 1 1 143 143 LEU CB C 13 41.211 . . . . . . . . 143 L CB . 27729 1 503 . 1 1 143 143 LEU N N 15 123.620 . . . . . . . . 143 L N . 27729 1 504 . 1 1 144 144 ALA H H 1 7.704 . . . . . . . . 144 A HN . 27729 1 505 . 1 1 144 144 ALA C C 13 177.987 . . . . . . . . 144 A C . 27729 1 506 . 1 1 144 144 ALA CA C 13 54.034 . . . . . . . . 144 A CA . 27729 1 507 . 1 1 144 144 ALA CB C 13 18.174 . . . . . . . . 144 A CB . 27729 1 508 . 1 1 144 144 ALA N N 15 116.052 . . . . . . . . 144 A N . 27729 1 509 . 1 1 145 145 ALA H H 1 6.944 . . . . . . . . 145 A HN . 27729 1 510 . 1 1 145 145 ALA HA H 1 4.384 . . . . . . . . 145 A HA . 27729 1 511 . 1 1 145 145 ALA HB1 H 1 1.408 . . . . . . . . 145 A HB# . 27729 1 512 . 1 1 145 145 ALA HB2 H 1 1.408 . . . . . . . . 145 A HB# . 27729 1 513 . 1 1 145 145 ALA HB3 H 1 1.408 . . . . . . . . 145 A HB# . 27729 1 514 . 1 1 145 145 ALA C C 13 177.940 . . . . . . . . 145 A C . 27729 1 515 . 1 1 145 145 ALA CA C 13 51.449 . . . . . . . . 145 A CA . 27729 1 516 . 1 1 145 145 ALA CB C 13 18.927 . . . . . . . . 145 A CB . 27729 1 517 . 1 1 145 145 ALA N N 15 116.237 . . . . . . . . 145 A N . 27729 1 518 . 1 1 146 146 GLN H H 1 7.515 . . . . . . . . 146 Q HN . 27729 1 519 . 1 1 146 146 GLN HB2 H 1 2.025 . . . . . . . . 146 Q HB# . 27729 1 520 . 1 1 146 146 GLN HB3 H 1 2.025 . . . . . . . . 146 Q HB# . 27729 1 521 . 1 1 146 146 GLN HG2 H 1 2.505 . . . . . . . . 146 Q HG1 . 27729 1 522 . 1 1 146 146 GLN HG3 H 1 2.502 . . . . . . . . 146 Q HG2 . 27729 1 523 . 1 1 146 146 GLN HE21 H 1 6.782 . . . . . . . . 146 Q HE21 . 27729 1 524 . 1 1 146 146 GLN HE22 H 1 6.929 . . . . . . . . 146 Q HE22 . 27729 1 525 . 1 1 146 146 GLN C C 13 175.991 . . . . . . . . 146 Q C . 27729 1 526 . 1 1 146 146 GLN CA C 13 55.295 . . . . . . . . 146 Q CA . 27729 1 527 . 1 1 146 146 GLN CB C 13 28.981 . . . . . . . . 146 Q CB . 27729 1 528 . 1 1 146 146 GLN CG C 13 33.833 . . . . . . . . 146 Q CG . 27729 1 529 . 1 1 146 146 GLN N N 15 117.990 . . . . . . . . 146 Q N . 27729 1 530 . 1 1 146 146 GLN NE2 N 15 111.705 . . . . . . . . 146 Q NE2 . 27729 1 531 . 1 1 147 147 LYS H H 1 8.554 . . . . . . . . 147 K HN . 27729 1 532 . 1 1 147 147 LYS C C 13 177.375 . . . . . . . . 147 K C . 27729 1 533 . 1 1 147 147 LYS CA C 13 56.091 . . . . . . . . 147 K CA . 27729 1 534 . 1 1 147 147 LYS CB C 13 32.403 . . . . . . . . 147 K CB . 27729 1 535 . 1 1 147 147 LYS N N 15 119.750 . . . . . . . . 147 K N . 27729 1 536 . 1 1 148 148 GLU C C 13 177.710 . . . . . . . . 148 E C . 27729 1 537 . 1 1 148 148 GLU CA C 13 60.933 . . . . . . . . 148 E CA . 27729 1 538 . 1 1 148 148 GLU CB C 13 29.355 . . . . . . . . 148 E CB . 27729 1 539 . 1 1 149 149 SER H H 1 8.632 . . . . . . . . 149 S HN . 27729 1 540 . 1 1 149 149 SER C C 13 175.989 . . . . . . . . 149 S C . 27729 1 541 . 1 1 149 149 SER CA C 13 60.814 . . . . . . . . 149 S CA . 27729 1 542 . 1 1 149 149 SER CB C 13 61.835 . . . . . . . . 149 S CB . 27729 1 543 . 1 1 149 149 SER N N 15 111.378 . . . . . . . . 149 S N . 27729 1 544 . 1 1 150 150 ALA H H 1 7.013 . . . . . . . . 150 A HN . 27729 1 545 . 1 1 150 150 ALA C C 13 178.964 . . . . . . . . 150 A C . 27729 1 546 . 1 1 150 150 ALA CA C 13 53.027 . . . . . . . . 150 A CA . 27729 1 547 . 1 1 150 150 ALA CB C 13 18.928 . . . . . . . . 150 A CB . 27729 1 548 . 1 1 150 150 ALA N N 15 123.000 . . . . . . . . 150 A N . 27729 1 549 . 1 1 151 151 ARG H H 1 7.677 . . . . . . . . 151 R HN . 27729 1 550 . 1 1 151 151 ARG C C 13 177.667 . . . . . . . . 151 R C . 27729 1 551 . 1 1 151 151 ARG CA C 13 57.950 . . . . . . . . 151 R CA . 27729 1 552 . 1 1 151 151 ARG CB C 13 32.003 . . . . . . . . 151 R CB . 27729 1 553 . 1 1 151 151 ARG N N 15 113.723 . . . . . . . . 151 R N . 27729 1 554 . 1 1 152 152 ARG H H 1 7.932 . . . . . . . . 152 R HN . 27729 1 555 . 1 1 152 152 ARG CA C 13 62.484 . . . . . . . . 152 R CA . 27729 1 556 . 1 1 152 152 ARG CB C 13 27.363 . . . . . . . . 152 R CB . 27729 1 557 . 1 1 152 152 ARG N N 15 118.347 . . . . . . . . 152 R N . 27729 1 558 . 1 1 153 153 PRO CA C 13 65.139 . . . . . . . . 153 P CA . 27729 1 559 . 1 1 153 153 PRO CB C 13 30.135 . . . . . . . . 153 P CB . 27729 1 560 . 1 1 154 154 PHE H H 1 8.279 . . . . . . . . 154 F HN . 27729 1 561 . 1 1 154 154 PHE C C 13 174.458 . . . . . . . . 154 F C . 27729 1 562 . 1 1 154 154 PHE CA C 13 57.052 . . . . . . . . 154 F CA . 27729 1 563 . 1 1 154 154 PHE CB C 13 39.468 . . . . . . . . 154 F CB . 27729 1 564 . 1 1 154 154 PHE N N 15 116.694 . . . . . . . . 154 F N . 27729 1 565 . 1 1 155 155 ILE H H 1 7.506 . . . . . . . . 155 I HN . 27729 1 566 . 1 1 155 155 ILE C C 13 175.742 . . . . . . . . 155 I C . 27729 1 567 . 1 1 155 155 ILE CA C 13 60.102 . . . . . . . . 155 I CA . 27729 1 568 . 1 1 155 155 ILE CB C 13 36.556 . . . . . . . . 155 I CB . 27729 1 569 . 1 1 155 155 ILE N N 15 118.282 . . . . . . . . 155 I N . 27729 1 570 . 1 1 156 156 PHE H H 1 9.311 . . . . . . . . 156 F HN . 27729 1 571 . 1 1 156 156 PHE C C 13 174.721 . . . . . . . . 156 F C . 27729 1 572 . 1 1 156 156 PHE CA C 13 55.607 . . . . . . . . 156 F CA . 27729 1 573 . 1 1 156 156 PHE CB C 13 42.196 . . . . . . . . 156 F CB . 27729 1 574 . 1 1 156 156 PHE N N 15 127.085 . . . . . . . . 156 F N . 27729 1 575 . 1 1 157 157 TYR H H 1 10.228 . . . . . . . . 157 Y HN . 27729 1 576 . 1 1 157 157 TYR C C 13 175.721 . . . . . . . . 157 Y C . 27729 1 577 . 1 1 157 157 TYR CA C 13 57.540 . . . . . . . . 157 Y CA . 27729 1 578 . 1 1 157 157 TYR CB C 13 38.988 . . . . . . . . 157 Y CB . 27729 1 579 . 1 1 157 157 TYR N N 15 120.950 . . . . . . . . 157 Y N . 27729 1 580 . 1 1 158 158 ARG H H 1 9.226 . . . . . . . . 158 R HN . 27729 1 581 . 1 1 158 158 ARG C C 13 175.002 . . . . . . . . 158 R C . 27729 1 582 . 1 1 158 158 ARG CA C 13 54.577 . . . . . . . . 158 R CA . 27729 1 583 . 1 1 158 158 ARG CB C 13 30.186 . . . . . . . . 158 R CB . 27729 1 584 . 1 1 158 158 ARG N N 15 124.200 . . . . . . . . 158 R N . 27729 1 585 . 1 1 159 159 ALA H H 1 9.209 . . . . . . . . 159 A HN . 27729 1 586 . 1 1 159 159 ALA C C 13 176.219 . . . . . . . . 159 A C . 27729 1 587 . 1 1 159 159 ALA CA C 13 50.676 . . . . . . . . 159 A CA . 27729 1 588 . 1 1 159 159 ALA CB C 13 20.333 . . . . . . . . 159 A CB . 27729 1 589 . 1 1 159 159 ALA N N 15 135.109 . . . . . . . . 159 A N . 27729 1 590 . 1 1 160 160 GLN H H 1 8.739 . . . . . . . . 160 Q HN . 27729 1 591 . 1 1 160 160 GLN HB2 H 1 1.866 . . . . . . . . 160 Q HB1 . 27729 1 592 . 1 1 160 160 GLN HB3 H 1 1.990 . . . . . . . . 160 Q HB2 . 27729 1 593 . 1 1 160 160 GLN HE21 H 1 6.719 . . . . . . . . 160 Q HE21 . 27729 1 594 . 1 1 160 160 GLN HE22 H 1 7.390 . . . . . . . . 160 Q HE22 . 27729 1 595 . 1 1 160 160 GLN C C 13 175.653 . . . . . . . . 160 Q C . 27729 1 596 . 1 1 160 160 GLN CA C 13 55.404 . . . . . . . . 160 Q CA . 27729 1 597 . 1 1 160 160 GLN CB C 13 30.023 . . . . . . . . 160 Q CB . 27729 1 598 . 1 1 160 160 GLN N N 15 122.481 . . . . . . . . 160 Q N . 27729 1 599 . 1 1 160 160 GLN NE2 N 15 111.281 . . . . . . . . 160 Q NE2 . 27729 1 600 . 1 1 161 161 VAL H H 1 8.338 . . . . . . . . 161 V HN . 27729 1 601 . 1 1 161 161 VAL C C 13 175.888 . . . . . . . . 161 V C . 27729 1 602 . 1 1 161 161 VAL CA C 13 60.016 . . . . . . . . 161 V CA . 27729 1 603 . 1 1 161 161 VAL CB C 13 32.367 . . . . . . . . 161 V CB . 27729 1 604 . 1 1 161 161 VAL N N 15 126.017 . . . . . . . . 161 V N . 27729 1 605 . 1 1 162 162 GLY H H 1 8.780 . . . . . . . . 162 G HN . 27729 1 606 . 1 1 162 162 GLY C C 13 175.554 . . . . . . . . 162 G C . 27729 1 607 . 1 1 162 162 GLY CA C 13 46.505 . . . . . . . . 162 G CA . 27729 1 608 . 1 1 162 162 GLY N N 15 116.423 . . . . . . . . 162 G N . 27729 1 609 . 1 1 163 163 SER H H 1 8.313 . . . . . . . . 163 S HN . 27729 1 610 . 1 1 163 163 SER HB2 H 1 3.396 . . . . . . . . 163 S HB1 . 27729 1 611 . 1 1 163 163 SER HB3 H 1 3.017 . . . . . . . . 163 S HB2 . 27729 1 612 . 1 1 163 163 SER C C 13 172.843 . . . . . . . . 163 S C . 27729 1 613 . 1 1 163 163 SER CA C 13 58.416 . . . . . . . . 163 S CA . 27729 1 614 . 1 1 163 163 SER CB C 13 62.774 . . . . . . . . 163 S CB . 27729 1 615 . 1 1 163 163 SER N N 15 123.000 . . . . . . . . 163 S N . 27729 1 616 . 1 1 164 164 TRP H H 1 8.028 . . . . . . . . 164 W HN . 27729 1 617 . 1 1 164 164 TRP HE1 H 1 9.911 . . . . . . . . 164 W HE1 . 27729 1 618 . 1 1 164 164 TRP C C 13 175.124 . . . . . . . . 164 W C . 27729 1 619 . 1 1 164 164 TRP CA C 13 55.438 . . . . . . . . 164 W CA . 27729 1 620 . 1 1 164 164 TRP CB C 13 31.841 . . . . . . . . 164 W CB . 27729 1 621 . 1 1 164 164 TRP N N 15 121.651 . . . . . . . . 164 W N . 27729 1 622 . 1 1 164 164 TRP NE1 N 15 129.006 . . . . . . . . 164 W NE1 . 27729 1 623 . 1 1 165 165 ASN H H 1 9.232 . . . . . . . . 165 N HN . 27729 1 624 . 1 1 165 165 ASN C C 13 173.829 . . . . . . . . 165 N C . 27729 1 625 . 1 1 165 165 ASN CA C 13 52.579 . . . . . . . . 165 N CA . 27729 1 626 . 1 1 165 165 ASN CB C 13 43.805 . . . . . . . . 165 N CB . 27729 1 627 . 1 1 165 165 ASN N N 15 118.200 . . . . . . . . 165 N N . 27729 1 628 . 1 1 166 166 MET H H 1 9.160 . . . . . . . . 166 M HN . 27729 1 629 . 1 1 166 166 MET C C 13 175.162 . . . . . . . . 166 M C . 27729 1 630 . 1 1 166 166 MET CA C 13 54.299 . . . . . . . . 166 M CA . 27729 1 631 . 1 1 166 166 MET CB C 13 36.559 . . . . . . . . 166 M CB . 27729 1 632 . 1 1 166 166 MET N N 15 120.090 . . . . . . . . 166 M N . 27729 1 633 . 1 1 167 167 LEU H H 1 10.097 . . . . . . . . 167 L HN . 27729 1 634 . 1 1 167 167 LEU C C 13 173.895 . . . . . . . . 167 L C . 27729 1 635 . 1 1 167 167 LEU CA C 13 52.992 . . . . . . . . 167 L CA . 27729 1 636 . 1 1 167 167 LEU CB C 13 45.189 . . . . . . . . 167 L CB . 27729 1 637 . 1 1 167 167 LEU N N 15 122.655 . . . . . . . . 167 L N . 27729 1 638 . 1 1 168 168 GLU H H 1 9.050 . . . . . . . . 168 E HN . 27729 1 639 . 1 1 168 168 GLU HB2 H 1 2.071 . . . . . . . . 168 E HB1 . 27729 1 640 . 1 1 168 168 GLU HB3 H 1 2.153 . . . . . . . . 168 E HB2 . 27729 1 641 . 1 1 168 168 GLU HG2 H 1 1.133 . . . . . . . . 168 E HG1 . 27729 1 642 . 1 1 168 168 GLU HG3 H 1 2.182 . . . . . . . . 168 E HG2 . 27729 1 643 . 1 1 168 168 GLU C C 13 177.030 . . . . . . . . 168 E C . 27729 1 644 . 1 1 168 168 GLU CA C 13 53.216 . . . . . . . . 168 E CA . 27729 1 645 . 1 1 168 168 GLU CB C 13 32.821 . . . . . . . . 168 E CB . 27729 1 646 . 1 1 168 168 GLU CG C 13 34.538 . . . . . . . . 168 E CG . 27729 1 647 . 1 1 168 168 GLU N N 15 125.369 . . . . . . . . 168 E N . 27729 1 648 . 1 1 169 169 SER H H 1 9.035 . . . . . . . . 169 S HN . 27729 1 649 . 1 1 169 169 SER C C 13 175.043 . . . . . . . . 169 S C . 27729 1 650 . 1 1 169 169 SER CA C 13 58.763 . . . . . . . . 169 S CA . 27729 1 651 . 1 1 169 169 SER CB C 13 63.212 . . . . . . . . 169 S CB . 27729 1 652 . 1 1 169 169 SER N N 15 120.492 . . . . . . . . 169 S N . 27729 1 653 . 1 1 170 170 ALA H H 1 7.915 . . . . . . . . 170 A HN . 27729 1 654 . 1 1 170 170 ALA C C 13 179.430 . . . . . . . . 170 A C . 27729 1 655 . 1 1 170 170 ALA CA C 13 52.994 . . . . . . . . 170 A CA . 27729 1 656 . 1 1 170 170 ALA CB C 13 17.944 . . . . . . . . 170 A CB . 27729 1 657 . 1 1 170 170 ALA N N 15 126.629 . . . . . . . . 170 A N . 27729 1 658 . 1 1 171 171 ALA H H 1 7.218 . . . . . . . . 171 A HN . 27729 1 659 . 1 1 171 171 ALA C C 13 176.591 . . . . . . . . 171 A C . 27729 1 660 . 1 1 171 171 ALA CA C 13 53.062 . . . . . . . . 171 A CA . 27729 1 661 . 1 1 171 171 ALA CB C 13 18.850 . . . . . . . . 171 A CB . 27729 1 662 . 1 1 171 171 ALA N N 15 118.318 . . . . . . . . 171 A N . 27729 1 663 . 1 1 172 172 HIS H H 1 7.493 . . . . . . . . 172 H HN . 27729 1 664 . 1 1 172 172 HIS C C 13 169.769 . . . . . . . . 172 H C . 27729 1 665 . 1 1 172 172 HIS CA C 13 53.117 . . . . . . . . 172 H CA . 27729 1 666 . 1 1 172 172 HIS CB C 13 30.619 . . . . . . . . 172 H CB . 27729 1 667 . 1 1 172 172 HIS N N 15 116.735 . . . . . . . . 172 H N . 27729 1 668 . 1 1 173 173 PRO C C 13 178.761 . . . . . . . . 173 P C . 27729 1 669 . 1 1 173 173 PRO CA C 13 63.013 . . . . . . . . 173 P CA . 27729 1 670 . 1 1 173 173 PRO CB C 13 31.203 . . . . . . . . 173 P CB . 27729 1 671 . 1 1 174 174 GLY H H 1 10.463 . . . . . . . . 174 G HN . 27729 1 672 . 1 1 174 174 GLY HA2 H 1 3.418 . . . . . . . . 174 G HA# . 27729 1 673 . 1 1 174 174 GLY HA3 H 1 3.418 . . . . . . . . 174 G HA# . 27729 1 674 . 1 1 174 174 GLY C C 13 172.639 . . . . . . . . 174 G C . 27729 1 675 . 1 1 174 174 GLY CA C 13 44.050 . . . . . . . . 174 G CA . 27729 1 676 . 1 1 174 174 GLY N N 15 112.825 . . . . . . . . 174 G N . 27729 1 677 . 1 1 175 175 TRP H H 1 7.770 . . . . . . . . 175 W HN . 27729 1 678 . 1 1 175 175 TRP HE1 H 1 10.035 . . . . . . . . 175 W HE1 . 27729 1 679 . 1 1 175 175 TRP C C 13 174.464 . . . . . . . . 175 W C . 27729 1 680 . 1 1 175 175 TRP CA C 13 56.396 . . . . . . . . 175 W CA . 27729 1 681 . 1 1 175 175 TRP CB C 13 27.730 . . . . . . . . 175 W CB . 27729 1 682 . 1 1 175 175 TRP N N 15 119.518 . . . . . . . . 175 W N . 27729 1 683 . 1 1 175 175 TRP NE1 N 15 128.551 . . . . . . . . 175 W NE1 . 27729 1 684 . 1 1 176 176 PHE H H 1 9.394 . . . . . . . . 176 F HN . 27729 1 685 . 1 1 176 176 PHE C C 13 177.311 . . . . . . . . 176 F C . 27729 1 686 . 1 1 176 176 PHE CA C 13 55.930 . . . . . . . . 176 F CA . 27729 1 687 . 1 1 176 176 PHE CB C 13 41.546 . . . . . . . . 176 F CB . 27729 1 688 . 1 1 176 176 PHE N N 15 121.923 . . . . . . . . 176 F N . 27729 1 689 . 1 1 177 177 ILE H H 1 8.884 . . . . . . . . 177 I HN . 27729 1 690 . 1 1 177 177 ILE C C 13 175.320 . . . . . . . . 177 I C . 27729 1 691 . 1 1 177 177 ILE CA C 13 63.168 . . . . . . . . 177 I CA . 27729 1 692 . 1 1 177 177 ILE CB C 13 36.518 . . . . . . . . 177 I CB . 27729 1 693 . 1 1 177 177 ILE N N 15 122.085 . . . . . . . . 177 I N . 27729 1 694 . 1 1 178 178 CYS H H 1 8.917 . . . . . . . . 178 C HN . 27729 1 695 . 1 1 178 178 CYS HB2 H 1 2.916 . . . . . . . . 178 C HB1 . 27729 1 696 . 1 1 178 178 CYS HB3 H 1 2.634 . . . . . . . . 178 C HB2 . 27729 1 697 . 1 1 178 178 CYS C C 13 174.485 . . . . . . . . 178 C C . 27729 1 698 . 1 1 178 178 CYS CA C 13 54.728 . . . . . . . . 178 C CA . 27729 1 699 . 1 1 178 178 CYS CB C 13 33.338 . . . . . . . . 178 C CB . 27729 1 700 . 1 1 178 178 CYS N N 15 121.484 . . . . . . . . 178 C N . 27729 1 701 . 1 1 179 179 THR H H 1 9.058 . . . . . . . . 179 T HN . 27729 1 702 . 1 1 179 179 THR C C 13 174.383 . . . . . . . . 179 T C . 27729 1 703 . 1 1 179 179 THR CA C 13 59.363 . . . . . . . . 179 T CA . 27729 1 704 . 1 1 179 179 THR CB C 13 70.308 . . . . . . . . 179 T CB . 27729 1 705 . 1 1 179 179 THR N N 15 112.383 . . . . . . . . 179 T N . 27729 1 706 . 1 1 180 180 SER H H 1 8.970 . . . . . . . . 180 S HN . 27729 1 707 . 1 1 180 180 SER C C 13 174.877 . . . . . . . . 180 S C . 27729 1 708 . 1 1 180 180 SER CA C 13 56.331 . . . . . . . . 180 S CA . 27729 1 709 . 1 1 180 180 SER CB C 13 63.674 . . . . . . . . 180 S CB . 27729 1 710 . 1 1 180 180 SER N N 15 113.451 . . . . . . . . 180 S N . 27729 1 711 . 1 1 181 181 CYS H H 1 8.272 . . . . . . . . 181 C HN . 27729 1 712 . 1 1 181 181 CYS C C 13 175.041 . . . . . . . . 181 C C . 27729 1 713 . 1 1 181 181 CYS CA C 13 59.589 . . . . . . . . 181 C CA . 27729 1 714 . 1 1 181 181 CYS CB C 13 27.447 . . . . . . . . 181 C CB . 27729 1 715 . 1 1 181 181 CYS N N 15 119.844 . . . . . . . . 181 C N . 27729 1 716 . 1 1 182 182 ASN H H 1 8.494 . . . . . . . . 182 N HN . 27729 1 717 . 1 1 182 182 ASN HD21 H 1 7.741 . . . . . . . . 182 N HD21 . 27729 1 718 . 1 1 182 182 ASN HD22 H 1 6.935 . . . . . . . . 182 N HD22 . 27729 1 719 . 1 1 182 182 ASN C C 13 175.465 . . . . . . . . 182 N C . 27729 1 720 . 1 1 182 182 ASN CA C 13 51.656 . . . . . . . . 182 N CA . 27729 1 721 . 1 1 182 182 ASN CB C 13 39.361 . . . . . . . . 182 N CB . 27729 1 722 . 1 1 182 182 ASN N N 15 119.345 . . . . . . . . 182 N N . 27729 1 723 . 1 1 182 182 ASN ND2 N 15 114.345 . . . . . . . . 182 N ND2 . 27729 1 724 . 1 1 183 183 CYS C C 13 173.567 . . . . . . . . 183 C C . 27729 1 725 . 1 1 183 183 CYS CA C 13 59.982 . . . . . . . . 183 C CA . 27729 1 726 . 1 1 183 183 CYS CB C 13 28.189 . . . . . . . . 183 C CB . 27729 1 727 . 1 1 184 184 ASN H H 1 8.367 . . . . . . . . 184 N HN . 27729 1 728 . 1 1 184 184 ASN C C 13 173.413 . . . . . . . . 184 N C . 27729 1 729 . 1 1 184 184 ASN CA C 13 54.517 . . . . . . . . 184 N CA . 27729 1 730 . 1 1 184 184 ASN CB C 13 36.502 . . . . . . . . 184 N CB . 27729 1 731 . 1 1 184 184 ASN N N 15 114.721 . . . . . . . . 184 N N . 27729 1 732 . 1 1 185 185 GLU H H 1 8.161 . . . . . . . . 185 E HN . 27729 1 733 . 1 1 185 185 GLU C C 13 173.784 . . . . . . . . 185 E C . 27729 1 734 . 1 1 185 185 GLU CA C 13 53.859 . . . . . . . . 185 E CA . 27729 1 735 . 1 1 185 185 GLU CB C 13 30.222 . . . . . . . . 185 E CB . 27729 1 736 . 1 1 185 185 GLU N N 15 119.456 . . . . . . . . 185 E N . 27729 1 737 . 1 1 186 186 PRO C C 13 177.961 . . . . . . . . 186 P C . 27729 1 738 . 1 1 186 186 PRO CA C 13 62.356 . . . . . . . . 186 P CA . 27729 1 739 . 1 1 186 186 PRO CB C 13 32.167 . . . . . . . . 186 P CB . 27729 1 740 . 1 1 187 187 VAL H H 1 8.316 . . . . . . . . 187 V HN . 27729 1 741 . 1 1 187 187 VAL C C 13 175.566 . . . . . . . . 187 V C . 27729 1 742 . 1 1 187 187 VAL CA C 13 62.909 . . . . . . . . 187 V CA . 27729 1 743 . 1 1 187 187 VAL CB C 13 31.594 . . . . . . . . 187 V CB . 27729 1 744 . 1 1 187 187 VAL N N 15 124.486 . . . . . . . . 187 V N . 27729 1 745 . 1 1 188 188 GLY H H 1 8.389 . . . . . . . . 188 G HN . 27729 1 746 . 1 1 188 188 GLY C C 13 172.921 . . . . . . . . 188 G C . 27729 1 747 . 1 1 188 188 GLY CA C 13 45.029 . . . . . . . . 188 G CA . 27729 1 748 . 1 1 188 188 GLY N N 15 116.545 . . . . . . . . 188 G N . 27729 1 749 . 1 1 189 189 VAL H H 1 8.078 . . . . . . . . 189 V HN . 27729 1 750 . 1 1 189 189 VAL C C 13 176.274 . . . . . . . . 189 V C . 27729 1 751 . 1 1 189 189 VAL CA C 13 58.867 . . . . . . . . 189 V CA . 27729 1 752 . 1 1 189 189 VAL CB C 13 36.485 . . . . . . . . 189 V CB . 27729 1 753 . 1 1 189 189 VAL N N 15 110.751 . . . . . . . . 189 V N . 27729 1 754 . 1 1 190 190 THR H H 1 9.489 . . . . . . . . 190 T HN . 27729 1 755 . 1 1 190 190 THR C C 13 170.133 . . . . . . . . 190 T C . 27729 1 756 . 1 1 190 190 THR CA C 13 60.183 . . . . . . . . 190 T CA . 27729 1 757 . 1 1 190 190 THR CB C 13 70.085 . . . . . . . . 190 T CB . 27729 1 758 . 1 1 190 190 THR N N 15 115.468 . . . . . . . . 190 T N . 27729 1 759 . 1 1 191 191 ASP H H 1 7.503 . . . . . . . . 191 D HN . 27729 1 760 . 1 1 191 191 ASP HA H 1 4.368 . . . . . . . . 191 D HA . 27729 1 761 . 1 1 191 191 ASP C C 13 176.889 . . . . . . . . 191 D C . 27729 1 762 . 1 1 191 191 ASP CA C 13 51.526 . . . . . . . . 191 D CA . 27729 1 763 . 1 1 191 191 ASP CB C 13 38.525 . . . . . . . . 191 D CB . 27729 1 764 . 1 1 191 191 ASP N N 15 124.608 . . . . . . . . 191 D N . 27729 1 765 . 1 1 192 192 LYS H H 1 8.083 . . . . . . . . 192 K HN . 27729 1 766 . 1 1 192 192 LYS C C 13 175.616 . . . . . . . . 192 K C . 27729 1 767 . 1 1 192 192 LYS CA C 13 54.306 . . . . . . . . 192 K CA . 27729 1 768 . 1 1 192 192 LYS CB C 13 32.109 . . . . . . . . 192 K CB . 27729 1 769 . 1 1 192 192 LYS N N 15 122.569 . . . . . . . . 192 K N . 27729 1 770 . 1 1 193 193 PHE H H 1 7.828 . . . . . . . . 193 F HN . 27729 1 771 . 1 1 193 193 PHE C C 13 175.275 . . . . . . . . 193 F C . 27729 1 772 . 1 1 193 193 PHE CA C 13 56.235 . . . . . . . . 193 F CA . 27729 1 773 . 1 1 193 193 PHE CB C 13 38.049 . . . . . . . . 193 F CB . 27729 1 774 . 1 1 193 193 PHE N N 15 121.485 . . . . . . . . 193 F N . 27729 1 775 . 1 1 194 194 GLU H H 1 8.261 . . . . . . . . 194 E HN . 27729 1 776 . 1 1 194 194 GLU C C 13 176.969 . . . . . . . . 194 E C . 27729 1 777 . 1 1 194 194 GLU CA C 13 57.443 . . . . . . . . 194 E CA . 27729 1 778 . 1 1 194 194 GLU CB C 13 28.902 . . . . . . . . 194 E CB . 27729 1 779 . 1 1 194 194 GLU N N 15 119.015 . . . . . . . . 194 E N . 27729 1 780 . 1 1 195 195 ASN H H 1 7.967 . . . . . . . . 195 N HN . 27729 1 781 . 1 1 195 195 ASN C C 13 176.015 . . . . . . . . 195 N C . 27729 1 782 . 1 1 195 195 ASN CA C 13 51.826 . . . . . . . . 195 N CA . 27729 1 783 . 1 1 195 195 ASN CB C 13 37.443 . . . . . . . . 195 N CB . 27729 1 784 . 1 1 195 195 ASN N N 15 118.269 . . . . . . . . 195 N N . 27729 1 785 . 1 1 199 199 ILE C C 13 173.250 . . . . . . . . 199 I C . 27729 1 786 . 1 1 199 199 ILE CA C 13 59.755 . . . . . . . . 199 I CA . 27729 1 787 . 1 1 199 199 ILE CB C 13 39.568 . . . . . . . . 199 I CB . 27729 1 788 . 1 1 200 200 GLU H H 1 6.333 . . . . . . . . 200 E HN . 27729 1 789 . 1 1 200 200 GLU C C 13 175.288 . . . . . . . . 200 E C . 27729 1 790 . 1 1 200 200 GLU CA C 13 54.464 . . . . . . . . 200 E CA . 27729 1 791 . 1 1 200 200 GLU CB C 13 30.037 . . . . . . . . 200 E CB . 27729 1 792 . 1 1 200 200 GLU N N 15 118.997 . . . . . . . . 200 E N . 27729 1 793 . 1 1 201 201 PHE H H 1 9.246 . . . . . . . . 201 F HN . 27729 1 794 . 1 1 201 201 PHE HB2 H 1 3.134 . . . . . . . . 201 F HB# . 27729 1 795 . 1 1 201 201 PHE HB3 H 1 3.134 . . . . . . . . 201 F HB# . 27729 1 796 . 1 1 201 201 PHE C C 13 177.714 . . . . . . . . 201 F C . 27729 1 797 . 1 1 201 201 PHE CA C 13 56.477 . . . . . . . . 201 F CA . 27729 1 798 . 1 1 201 201 PHE CB C 13 43.310 . . . . . . . . 201 F CB . 27729 1 799 . 1 1 201 201 PHE N N 15 118.299 . . . . . . . . 201 F N . 27729 1 800 . 1 1 202 202 SER H H 1 9.916 . . . . . . . . 202 S HN . 27729 1 801 . 1 1 202 202 SER HB2 H 1 3.591 . . . . . . . . 202 S HB1 . 27729 1 802 . 1 1 202 202 SER HB3 H 1 3.666 . . . . . . . . 202 S HB2 . 27729 1 803 . 1 1 202 202 SER C C 13 174.023 . . . . . . . . 202 S C . 27729 1 804 . 1 1 202 202 SER CA C 13 56.536 . . . . . . . . 202 S CA . 27729 1 805 . 1 1 202 202 SER CB C 13 63.958 . . . . . . . . 202 S CB . 27729 1 806 . 1 1 202 202 SER N N 15 118.566 . . . . . . . . 202 S N . 27729 1 807 . 1 1 203 203 PHE H H 1 8.635 . . . . . . . . 203 F HN . 27729 1 808 . 1 1 203 203 PHE C C 13 175.753 . . . . . . . . 203 F C . 27729 1 809 . 1 1 203 203 PHE CA C 13 51.817 . . . . . . . . 203 F CA . 27729 1 810 . 1 1 203 203 PHE CB C 13 37.261 . . . . . . . . 203 F CB . 27729 1 811 . 1 1 203 203 PHE N N 15 127.214 . . . . . . . . 203 F N . 27729 1 812 . 1 1 204 204 GLN H H 1 9.040 . . . . . . . . 204 Q HN . 27729 1 813 . 1 1 204 204 GLN HB2 H 1 1.983 . . . . . . . . 204 Q HB1 . 27729 1 814 . 1 1 204 204 GLN HB3 H 1 2.188 . . . . . . . . 204 Q HB2 . 27729 1 815 . 1 1 204 204 GLN HG2 H 1 2.163 . . . . . . . . 204 Q HG1 . 27729 1 816 . 1 1 204 204 GLN HG3 H 1 2.073 . . . . . . . . 204 Q HG2 . 27729 1 817 . 1 1 204 204 GLN CA C 13 52.464 . . . . . . . . 204 Q CA . 27729 1 818 . 1 1 204 204 GLN CB C 13 28.524 . . . . . . . . 204 Q CB . 27729 1 819 . 1 1 204 204 GLN CG C 13 32.976 . . . . . . . . 204 Q CG . 27729 1 820 . 1 1 204 204 GLN N N 15 125.645 . . . . . . . . 204 Q N . 27729 1 821 . 1 1 205 205 PRO C C 13 176.577 . . . . . . . . 205 P C . 27729 1 822 . 1 1 205 205 PRO CA C 13 62.763 . . . . . . . . 205 P CA . 27729 1 823 . 1 1 205 205 PRO CB C 13 32.394 . . . . . . . . 205 P CB . 27729 1 824 . 1 1 206 206 VAL H H 1 7.638 . . . . . . . . 206 V HN . 27729 1 825 . 1 1 206 206 VAL HA H 1 4.132 . . . . . . . . 206 V HA . 27729 1 826 . 1 1 206 206 VAL HB H 1 2.003 . . . . . . . . 206 V HB . 27729 1 827 . 1 1 206 206 VAL HG11 H 1 0.818 . . . . . . . . 206 V HG1# . 27729 1 828 . 1 1 206 206 VAL HG12 H 1 0.818 . . . . . . . . 206 V HG1# . 27729 1 829 . 1 1 206 206 VAL HG13 H 1 0.818 . . . . . . . . 206 V HG1# . 27729 1 830 . 1 1 206 206 VAL HG21 H 1 0.826 . . . . . . . . 206 V HG2# . 27729 1 831 . 1 1 206 206 VAL HG22 H 1 0.826 . . . . . . . . 206 V HG2# . 27729 1 832 . 1 1 206 206 VAL HG23 H 1 0.826 . . . . . . . . 206 V HG2# . 27729 1 833 . 1 1 206 206 VAL C C 13 180.789 . . . . . . . . 206 V C . 27729 1 834 . 1 1 206 206 VAL CA C 13 63.000 . . . . . . . . 206 V CA . 27729 1 835 . 1 1 206 206 VAL CB C 13 32.876 . . . . . . . . 206 V CB . 27729 1 836 . 1 1 206 206 VAL CG1 C 13 20.556 . . . . . . . . 206 V CG1 . 27729 1 837 . 1 1 206 206 VAL CG2 C 13 20.367 . . . . . . . . 206 V CG2 . 27729 1 838 . 1 1 206 206 VAL N N 15 124.037 . . . . . . . . 206 V N . 27729 1 stop_ save_